1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea

C17H18N4O — CID 659969

IUPAC1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H18N4O/c1-12-6-2-3-7-13(12)21-17(22)18-11-10-16-19-14-8-4-5-9-15(14)20-16/h2-9H,10-11H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyOFOXIZGLYUJSEZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.24
Rot. Bonds4

About 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea

1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea (PubChem CID 659969) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea
PubChem CID659969
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H18N4O/c1-12-6-2-3-7-13(12)21-17(22)18-11-10-16-19-14-8-4-5-9-15(14)20-16/h2-9H,10-11H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyOFOXIZGLYUJSEZ-UHFFFAOYSA-N
XLogP3.24
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea (CID 659969) is 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea?
The InChIKey is OFOXIZGLYUJSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-6-2-3-7-13(12)21-17(22)18-11-10-16-19-14-8-4-5-9-15(14)20-16/h2-9H,10-11H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea?
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea has a molecular weight of 294.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 659969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).