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

C27H19ClN4O2 — CID 58006536

IUPACN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C27H19ClN4O2/c28-23-13-12-20(15-22(23)26-30-17-24(32-26)18-7-3-1-4-8-18)31-27(33)19-11-14-25(29-16-19)34-21-9-5-2-6-10-21/h1-17H,(H,30,32)(H,31,33)
InChIKeyZJSJWBMRIMNMDP-UHFFFAOYSA-N
MW466.93 g/mol
LogP6.84
Rot. Bonds6

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

N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide (PubChem CID 58006536) has the molecular formula C27H19ClN4O2 and a molecular weight of 466.93 g/mol. Its IUPAC name is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide
PubChem CID58006536
Molecular FormulaC27H19ClN4O2
Molecular Weight466.93 g/mol
Exact Mass466.12
IUPAC NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C27H19ClN4O2/c28-23-13-12-20(15-22(23)26-30-17-24(32-26)18-7-3-1-4-8-18)31-27(33)19-11-14-25(29-16-19)34-21-9-5-2-6-10-21/h1-17H,(H,30,32)(H,31,33)
InChIKeyZJSJWBMRIMNMDP-UHFFFAOYSA-N
XLogP6.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.93
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-5-fluoropyridine-3-carboxamide
CID 58006446
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide
CID 58006497
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]-6-methoxy-2-methylpyridine-3-carboxamide
CID 58006454
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide
CID 58006485
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-phenoxypyridine-3-carboxamide
CID 47046694
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
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]-2-methyl-3-propan-2-yloxybenzamide
CID 58006451
4-chloro-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;hydrochloride
CID 162317763
N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
CID 87001108

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide (CID 58006536) is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide?
The InChIKey is ZJSJWBMRIMNMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN4O2/c28-23-13-12-20(15-22(23)26-30-17-24(32-26)18-7-3-1-4-8-18)31-27(33)19-11-14-25(29-16-19)34-21-9-5-2-6-10-21/h1-17H,(H,30,32)(H,31,33).
What are the key properties of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide?
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide has a molecular weight of 466.93 g/mol, XLogP of 6.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 58006536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).