1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea

C21H25N5O — CID 118795485

IUPAC1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea
SMILESCn1cnc2cc(NC(=O)N(Cc3cccnc3)C3CCCCC3)ccc21
InChIInChI=1S/C21H25N5O/c1-25-15-23-19-12-17(9-10-20(19)25)24-21(27)26(18-7-3-2-4-8-18)14-16-6-5-11-22-13-16/h5-6,9-13,15,18H,2-4,7-8,14H2,1H3,(H,24,27)
InChIKeyCBNVTSVXLKXDGB-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.34
Rot. Bonds4

About 1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea

1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 118795485) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea
PubChem CID118795485
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea
SMILESCn1cnc2cc(NC(=O)N(Cc3cccnc3)C3CCCCC3)ccc21
InChIInChI=1S/C21H25N5O/c1-25-15-23-19-12-17(9-10-20(19)25)24-21(27)26(18-7-3-2-4-8-18)14-16-6-5-11-22-13-16/h5-6,9-13,15,18H,2-4,7-8,14H2,1H3,(H,24,27)
InChIKeyCBNVTSVXLKXDGB-UHFFFAOYSA-N
XLogP4.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)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-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea
CID 126785941
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779100
N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 46969467
3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea
CID 24732225
N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 77082758
1-cyclopentyl-3-(3,5-dimethylphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4605264
(1-methylbenzimidazol-5-yl)urea
CID 12521213
3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
CID 24732177
1-cyclopentyl-3-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 3390068
tert-butyl N-[[4-[4-[[(4-benzylphenyl)carbamoyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]phenyl]methyl]-N-cyclohexylcarbamate
CID 139943897
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea (CID 118795485) is 1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea is Cn1cnc2cc(NC(=O)N(Cc3cccnc3)C3CCCCC3)ccc21.
What is the InChIKey of 1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is CBNVTSVXLKXDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25-15-23-19-12-17(9-10-20(19)25)24-21(27)26(18-7-3-2-4-8-18)14-16-6-5-11-22-13-16/h5-6,9-13,15,18H,2-4,7-8,14H2,1H3,(H,24,27).
What are the key properties of 1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea?
1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 363.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 118795485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).