1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea

C22H19N5O — CID 90564893

IUPAC1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N5O/c28-22(25-19-11-12-20(24-15-19)27-14-13-23-16-27)26-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,21H,(H2,25,26,28)
InChIKeyAWEKWWCECWDQDA-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.18
Rot. Bonds5

About 1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea

1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea (PubChem CID 90564893) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea
PubChem CID90564893
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N5O/c28-22(25-19-11-12-20(24-15-19)27-14-13-23-16-27)26-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,21H,(H2,25,26,28)
InChIKeyAWEKWWCECWDQDA-UHFFFAOYSA-N
XLogP4.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide
CID 95292032
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 62855029
N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide
CID 39567819
N-(6-imidazol-1-yl-3-pyridinyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 39567828
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 75424281
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
N-(6-imidazol-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60965851
(2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide
CID 95278008

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea (CID 90564893) is 1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea is O=C(Nc1ccc(-n2ccnc2)nc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea?
The InChIKey is AWEKWWCECWDQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c28-22(25-19-11-12-20(24-15-19)27-14-13-23-16-27)26-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,21H,(H2,25,26,28).
What are the key properties of 1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea?
1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea has a molecular weight of 369.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 90564893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).