3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide

C24H28ClN3O2 — CID 46102860

IUPAC3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
SMILESCCCC(CCC)NC(=O)c1cncn1-c1cccc(-c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C24H28ClN3O2/c1-4-7-19(8-5-2)27-24(29)22-15-26-16-28(22)20-10-6-9-17(13-20)21-14-18(25)11-12-23(21)30-3/h6,9-16,19H,4-5,7-8H2,1-3H3,(H,27,29)
InChIKeyXINQYAIYBRFMNQ-UHFFFAOYSA-N
MW425.96 g/mol
LogP5.90
Rot. Bonds9

About 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide

3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide (PubChem CID 46102860) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
PubChem CID46102860
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
SMILESCCCC(CCC)NC(=O)c1cncn1-c1cccc(-c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C24H28ClN3O2/c1-4-7-19(8-5-2)27-24(29)22-15-26-16-28(22)20-10-6-9-17(13-20)21-14-18(25)11-12-23(21)30-3/h6,9-16,19H,4-5,7-8H2,1-3H3,(H,27,29)
InChIKeyXINQYAIYBRFMNQ-UHFFFAOYSA-N
XLogP5.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 46102849
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide
CID 46101308
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92771117
3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46103182
N-(1-methoxybutan-2-yl)-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081579
3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46102836
N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide
CID 31957371
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-[3-[(2S)-2-ethylhexoxy]propyl]imidazole-4-carboxamide
CID 92771062
N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
CID 93033612
N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 46102853
N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 92769989
3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2S)-1-methoxybutan-2-yl]imidazole-4-carboxamide
CID 92767327

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide?
The IUPAC name of 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide (CID 46102860) is 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide.
What is the SMILES notation for 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide?
The canonical SMILES for 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide is CCCC(CCC)NC(=O)c1cncn1-c1cccc(-c2cc(Cl)ccc2OC)c1.
What is the InChIKey of 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide?
The InChIKey is XINQYAIYBRFMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-4-7-19(8-5-2)27-24(29)22-15-26-16-28(22)20-10-6-9-17(13-20)21-14-18(25)11-12-23(21)30-3/h6,9-16,19H,4-5,7-8H2,1-3H3,(H,27,29).
What are the key properties of 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide?
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide has a molecular weight of 425.96 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide is sourced from PubChem (CID 46102860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).