1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea

C18H20N4O — CID 110775488

IUPAC1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
SMILESCc1nc2cc(CNC(=O)NCc3ccccc3)ccc2n1C
InChIInChI=1S/C18H20N4O/c1-13-21-16-10-15(8-9-17(16)22(13)2)12-20-18(23)19-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,19,20,23)
InChIKeyPRTSCHKRLWLGRP-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.88
Rot. Bonds4

About 1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea

1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea (PubChem CID 110775488) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
PubChem CID110775488
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
SMILESCc1nc2cc(CNC(=O)NCc3ccccc3)ccc2n1C
InChIInChI=1S/C18H20N4O/c1-13-21-16-10-15(8-9-17(16)22(13)2)12-20-18(23)19-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,19,20,23)
InChIKeyPRTSCHKRLWLGRP-UHFFFAOYSA-N
XLogP2.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2-oxoacetate
CID 115142414
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-4-phenoxybutanamide
CID 110794764
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
CID 110785953
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]adamantane-1-carboxamide
CID 110785997
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 110794762
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide
CID 110785961
1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea
CID 110776249

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea (CID 110775488) is 1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea is Cc1nc2cc(CNC(=O)NCc3ccccc3)ccc2n1C.
What is the InChIKey of 1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea?
The InChIKey is PRTSCHKRLWLGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-21-16-10-15(8-9-17(16)22(13)2)12-20-18(23)19-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea?
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea has a molecular weight of 308.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea is sourced from PubChem (CID 110775488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).