1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea

C15H12ClN5O — CID 90564862

IUPAC1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C15H12ClN5O/c16-11-1-3-12(4-2-11)19-15(22)20-13-5-6-14(18-9-13)21-8-7-17-10-21/h1-10H,(H2,19,20,22)
InChIKeyGGSPHEJADCKRIQ-UHFFFAOYSA-N
MW313.75 g/mol
LogP3.56
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea

1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea (PubChem CID 90564862) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
PubChem CID90564862
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C15H12ClN5O/c16-11-1-3-12(4-2-11)19-15(22)20-13-5-6-14(18-9-13)21-8-7-17-10-21/h1-10H,(H2,19,20,22)
InChIKeyGGSPHEJADCKRIQ-UHFFFAOYSA-N
XLogP3.56
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
CID 87013033
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565133
1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564893
2-chloro-N-(6-imidazol-1-yl-3-pyridinyl)furan-3-carboxamide
CID 106685994
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
N-(6-imidazol-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60965851
2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 62855029
ethyl 2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 90564814
1-(3-chlorophenyl)-N-(6-imidazol-1-yl-3-pyridinyl)cyclopentane-1-carboxamide
CID 39406638
2-(cyclopropylmethylamino)-N-(6-imidazol-1-yl-3-pyridinyl)acetamide
CID 60867461
N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride
CID 119846827

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea (CID 90564862) is 1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea?
The InChIKey is GGSPHEJADCKRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-11-1-3-12(4-2-11)19-15(22)20-13-5-6-14(18-9-13)21-8-7-17-10-21/h1-10H,(H2,19,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea?
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea has a molecular weight of 313.75 g/mol, XLogP of 3.56, 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-imidazol-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 90564862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).