1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea

C16H14ClN5O — CID 90565133

IUPAC1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
SMILESCc1nccn1-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H14ClN5O/c1-11-18-8-9-22(11)15-7-6-14(10-19-15)21-16(23)20-13-4-2-12(17)3-5-13/h2-10H,1H3,(H2,20,21,23)
InChIKeyDAHDFTYNMVVETR-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.87
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea

1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea (PubChem CID 90565133) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
PubChem CID90565133
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
SMILESCc1nccn1-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H14ClN5O/c1-11-18-8-9-22(11)15-7-6-14(10-19-15)21-16(23)20-13-4-2-12(17)3-5-13/h2-10H,1H3,(H2,20,21,23)
InChIKeyDAHDFTYNMVVETR-UHFFFAOYSA-N
XLogP3.87
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]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-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide
CID 78902307
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862
1-(2,4-dimethoxyphenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565145
5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90565097
2-amino-2-ethyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 79813550
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2,2-diphenylacetamide
CID 90565042
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide
CID 90564944
1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide
CID 81179873
2-(cyclopropylamino)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60842509
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]formamide
CID 64992462
3-amino-4-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 64896268
N-ethyl-6-(2-methylimidazol-1-yl)pyridin-3-amine
CID 43748706

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea (CID 90565133) is 1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea is Cc1nccn1-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea?
The InChIKey is DAHDFTYNMVVETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-11-18-8-9-22(11)15-7-6-14(10-19-15)21-16(23)20-13-4-2-12(17)3-5-13/h2-10H,1H3,(H2,20,21,23).
What are the key properties of 1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea?
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea has a molecular weight of 327.78 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea is sourced from PubChem (CID 90565133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).