1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea

C16H22N4O — CID 110775448

IUPAC1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea
SMILESCc1nc2ccc(CNC(=O)NC3CCCCC3)cc2[nH]1
InChIInChI=1S/C16H22N4O/c1-11-18-14-8-7-12(9-15(14)19-11)10-17-16(21)20-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyMQCUSYTTWVWRCH-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.00
Rot. Bonds3

About 1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea

1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea (PubChem CID 110775448) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea
PubChem CID110775448
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea
SMILESCc1nc2ccc(CNC(=O)NC3CCCCC3)cc2[nH]1
InChIInChI=1S/C16H22N4O/c1-11-18-14-8-7-12(9-15(14)19-11)10-17-16(21)20-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyMQCUSYTTWVWRCH-UHFFFAOYSA-N
XLogP3.00
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-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

(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea
CID 110775446
1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775425
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
1-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97454274
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 3341724
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea (CID 110775448) is 1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea is Cc1nc2ccc(CNC(=O)NC3CCCCC3)cc2[nH]1.
What is the InChIKey of 1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea?
The InChIKey is MQCUSYTTWVWRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-18-14-8-7-12(9-15(14)19-11)10-17-16(21)20-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea?
1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea has a molecular weight of 286.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea is sourced from PubChem (CID 110775448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).