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Home > Imidazoles > 925174-35-2
925174-35-2 | N-[2-(1H-imidazol-5-yl)ethyl]-N'-(3-methylphenyl)urea
CAS No: 925174-35-2 Catalog No: AG00JGKX MDL No:MFCD08722356
Product Description
Catalog Number:
AG00JGKX
Chemical Name:
N-[2-(1H-imidazol-5-yl)ethyl]-N'-(3-methylphenyl)urea
CAS Number:
925174-35-2
Molecular Formula:
C13H16N4O
Molecular Weight:
244.2923
MDL Number:
MFCD08722356
IUPAC Name:
1-[2-(1H-imidazol-5-yl)ethyl]-3-(3-methylphenyl)urea
InChI:
InChI=1S/C13H16N4O/c1-10-3-2-4-11(7-10)17-13(18)15-6-5-12-8-14-9-16-12/h2-4,7-9H,5-6H2,1H3,(H,14,16)(H2,15,17,18)
InChI Key:
KVVRSBVHGXXVNB-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)C)NCCc1cnc[nH]1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.298g/mol
Monoisotopic Mass:
244.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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