1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea

C16H13ClN4O — CID 87013033

IUPAC1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H13ClN4O/c17-12-1-3-13(4-2-12)19-16(22)20-14-5-7-15(8-6-14)21-10-9-18-11-21/h1-11H,(H2,19,20,22)
InChIKeyHYHQLPPSCKEDOS-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.17
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea

1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea (PubChem CID 87013033) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
PubChem CID87013033
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H13ClN4O/c17-12-1-3-13(4-2-12)19-16(22)20-14-5-7-15(8-6-14)21-10-9-18-11-21/h1-11H,(H2,19,20,22)
InChIKeyHYHQLPPSCKEDOS-UHFFFAOYSA-N
XLogP4.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
CID 37186383
2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide
CID 110470971
4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867679
1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 171697953
N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide
CID 110445434
2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide
CID 175628645
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
CID 25339932
N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 86920859
N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide
CID 110471581
3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39035583

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea (CID 87013033) is 1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea?
The InChIKey is HYHQLPPSCKEDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-12-1-3-13(4-2-12)19-16(22)20-14-5-7-15(8-6-14)21-10-9-18-11-21/h1-11H,(H2,19,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea?
1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea has a molecular weight of 312.76 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea is sourced from PubChem (CID 87013033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).