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Home > Imidazoles > 110178-74-0
110178-74-0 | 4-(5-METHYL-1H-BENZO[D]IMIDAZOL-2-YL)ANILINE
CAS No: 110178-74-0 Catalog No: AG007VQS MDL No:MFCD00628968
Product Description
Catalog Number:
AG007VQS
Chemical Name:
4-(5-METHYL-1H-BENZO[D]IMIDAZOL-2-YL)ANILINE
CAS Number:
110178-74-0
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
MDL Number:
MFCD00628968
IUPAC Name:
4-(6-methyl-1H-benzimidazol-2-yl)aniline
InChI:
InChI=1S/C14H13N3/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3,(H,16,17)
InChI Key:
BQAHOIQJVNOZKN-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1nc2c([nH]1)ccc(c2)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.279g/mol
Monoisotopic Mass:
223.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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