1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea

C13H16ClN5O — CID 118773109

IUPAC1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
SMILESCc1nc(Cl)ccc1NC(=O)NCCCc1ncc[nH]1
InChIInChI=1S/C13H16ClN5O/c1-9-10(4-5-11(14)18-9)19-13(20)17-6-2-3-12-15-7-8-16-12/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)(H2,17,19,20)
InChIKeyILIBQWZKWGZAID-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.52
Rot. Bonds5

About 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea

1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea (PubChem CID 118773109) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
PubChem CID118773109
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
SMILESCc1nc(Cl)ccc1NC(=O)NCCCc1ncc[nH]1
InChIInChI=1S/C13H16ClN5O/c1-9-10(4-5-11(14)18-9)19-13(20)17-6-2-3-12-15-7-8-16-12/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)(H2,17,19,20)
InChIKeyILIBQWZKWGZAID-UHFFFAOYSA-N
XLogP2.52
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]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-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 118761432
1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 74234942
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 118780034
1-benzyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 107653232
2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 106312735
1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 116657997
1-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 87708424
1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
CID 22439180
5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 107185960
1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72838318
5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924673
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide
CID 135115730

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea?
The IUPAC name of 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea (CID 118773109) is 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea?
The canonical SMILES for 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea is Cc1nc(Cl)ccc1NC(=O)NCCCc1ncc[nH]1.
What is the InChIKey of 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea?
The InChIKey is ILIBQWZKWGZAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-9-10(4-5-11(14)18-9)19-13(20)17-6-2-3-12-15-7-8-16-12/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)(H2,17,19,20).
What are the key properties of 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea?
1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea has a molecular weight of 293.76 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea is sourced from PubChem (CID 118773109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).