CAS 4857-01-6 | 2-(2-Hydroxyethyl)benzimidazole | CAS Number 4857-01-6

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4857-01-6 | 2-(2-Hydroxyethyl)benzimidazole

CAS No: 4857-01-6 Catalog No: AG00DCF9 MDL No:MFCD00022686

Product Description

Catalog Number:

AG00DCF9

Chemical Name:

2-(2-Hydroxyethyl)benzimidazole

CAS Number:

4857-01-6

Molecular Formula:

C9H10N2O

Molecular Weight:

162.1885

MDL Number:

MFCD00022686

IUPAC Name:

2-(1H-benzimidazol-2-yl)ethanol

InChI:

InChI=1S/C9H10N2O/c12-6-5-9-10-7-3-1-2-4-8(7)11-9/h1-4,12H,5-6H2,(H,10,11)

InChI Key:

KNWQKDWAKRSKIF-UHFFFAOYSA-N

SMILES:

OCCc1nc2c([nH]1)cccc2

NSC Number:

84165

Properties

Complexity:

152

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

162.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

162.192g/mol

Monoisotopic Mass:

162.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

48.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
(S)-2-(1-Hydroxy-ethyl)benzimid-azolium dihydrogen phosphate.	Acta crystallographica. Section E, Structure reports online 20090801
Synthesis, cytotoxicity, and DNA interactions of new cisplatin analogues containing substituted benzimidazole ligands.	Journal of medicinal chemistry 20090312