2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide

C23H17Cl2N3O — CID 58006485

IUPAC2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C23H17Cl2N3O/c1-14-6-5-9-19(25)21(14)23(29)27-16-10-11-18(24)17(12-16)22-26-13-20(28-22)15-7-3-2-4-8-15/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyBKKXPHHUKDDZAQ-UHFFFAOYSA-N
MW422.32 g/mol
LogP6.61
Rot. Bonds4

About 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide

2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide (PubChem CID 58006485) has the molecular formula C23H17Cl2N3O and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide
PubChem CID58006485
Molecular FormulaC23H17Cl2N3O
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC Name2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C23H17Cl2N3O/c1-14-6-5-9-19(25)21(14)23(29)27-16-10-11-18(24)17(12-16)22-26-13-20(28-22)15-7-3-2-4-8-15/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyBKKXPHHUKDDZAQ-UHFFFAOYSA-N
XLogP6.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
CID 58006486
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-methyl-3-propan-2-yloxybenzamide
CID 58006451
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide
CID 24789075
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide
CID 58006454
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide
CID 58006446
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide
CID 58006484
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide
CID 58006536
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide
CID 58006497
2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
CID 174577479
N-[4-chloro-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbenzamide
CID 90031318
4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline
CID 162063457
N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide (CID 58006485) is 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide is Cc1cccc(Cl)c1C(=O)Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide?
The InChIKey is BKKXPHHUKDDZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O/c1-14-6-5-9-19(25)21(14)23(29)27-16-10-11-18(24)17(12-16)22-26-13-20(28-22)15-7-3-2-4-8-15/h2-13H,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide?
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide has a molecular weight of 422.32 g/mol, XLogP of 6.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide is sourced from PubChem (CID 58006485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).