1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea

C17H18N4O — CID 4798604

IUPAC1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H18N4O/c1-12-7-9-13(10-8-12)19-17(22)18-11-16-20-14-5-3-4-6-15(14)21(16)2/h3-10H,11H2,1-2H3,(H2,18,19,22)
InChIKeyORUWMTMFDKDKCV-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.20
Rot. Bonds3

About 1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea

1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea (PubChem CID 4798604) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
PubChem CID4798604
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H18N4O/c1-12-7-9-13(10-8-12)19-17(22)18-11-16-20-14-5-3-4-6-15(14)21(16)2/h3-10H,11H2,1-2H3,(H2,18,19,22)
InChIKeyORUWMTMFDKDKCV-UHFFFAOYSA-N
XLogP3.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea (CID 4798604) is 1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCc2nc3ccccc3n2C)cc1.
What is the InChIKey of 1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is ORUWMTMFDKDKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-7-9-13(10-8-12)19-17(22)18-11-16-20-14-5-3-4-6-15(14)21(16)2/h3-10H,11H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea?
1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea has a molecular weight of 294.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 4798604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).