1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea

C18H23ClN4O — CID 110429557

IUPAC1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea
SMILESCn1ccnc1C(NC(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O/c1-23-12-11-20-17(23)16(13-7-9-14(19)10-8-13)22-18(24)21-15-5-3-2-4-6-15/h7-12,15-16H,2-6H2,1H3,(H2,21,22,24)
InChIKeyDNTBOCIRZJODFP-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.79
Rot. Bonds4

About 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea

1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea (PubChem CID 110429557) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea
PubChem CID110429557
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea
SMILESCn1ccnc1C(NC(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O/c1-23-12-11-20-17(23)16(13-7-9-14(19)10-8-13)22-18(24)21-15-5-3-2-4-6-15/h7-12,15-16H,2-6H2,1H3,(H2,21,22,24)
InChIKeyDNTBOCIRZJODFP-UHFFFAOYSA-N
XLogP3.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea 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

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 25406313
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
CID 42954342
1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597981
1-butyl-3-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36961553
1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-hydroxypropyl)urea
CID 94149099
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984840
1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430449
1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95129972
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea
CID 41430470

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea?
The IUPAC name of 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea (CID 110429557) is 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea?
The canonical SMILES for 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea is Cn1ccnc1C(NC(=O)NC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea?
The InChIKey is DNTBOCIRZJODFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-23-12-11-20-17(23)16(13-7-9-14(19)10-8-13)22-18(24)21-15-5-3-2-4-6-15/h7-12,15-16H,2-6H2,1H3,(H2,21,22,24).
What are the key properties of 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea?
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea has a molecular weight of 346.86 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea is sourced from PubChem (CID 110429557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).