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

C24H21ClN4O2 — CID 58006497

IUPACN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide
SMILESCCCOc1cc(C(=O)Nc2ccc(Cl)c(-c3ncc(-c4ccccc4)[nH]3)c2)ccn1
InChIInChI=1S/C24H21ClN4O2/c1-2-12-31-22-13-17(10-11-26-22)24(30)28-18-8-9-20(25)19(14-18)23-27-15-21(29-23)16-6-4-3-5-7-16/h3-11,13-15H,2,12H2,1H3,(H,27,29)(H,28,30)
InChIKeyHNLDDZWWXMQJHM-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.83
Rot. Bonds7

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

N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide (PubChem CID 58006497) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide
PubChem CID58006497
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide
SMILESCCCOc1cc(C(=O)Nc2ccc(Cl)c(-c3ncc(-c4ccccc4)[nH]3)c2)ccn1
InChIInChI=1S/C24H21ClN4O2/c1-2-12-31-22-13-17(10-11-26-22)24(30)28-18-8-9-20(25)19(14-18)23-27-15-21(29-23)16-6-4-3-5-7-16/h3-11,13-15H,2,12H2,1H3,(H,27,29)(H,28,30)
InChIKeyHNLDDZWWXMQJHM-UHFFFAOYSA-N
XLogP5.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.83
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]-6-phenoxypyridine-3-carboxamide
CID 58006536
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
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]-6-methylbenzamide
CID 58006485
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]-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-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline
CID 162063457
N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 119100107
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloropyridine-4-carboxamide
CID 89391363

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide (CID 58006497) is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide is CCCOc1cc(C(=O)Nc2ccc(Cl)c(-c3ncc(-c4ccccc4)[nH]3)c2)ccn1.
What is the InChIKey of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide?
The InChIKey is HNLDDZWWXMQJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-2-12-31-22-13-17(10-11-26-22)24(30)28-18-8-9-20(25)19(14-18)23-27-15-21(29-23)16-6-4-3-5-7-16/h3-11,13-15H,2,12H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide?
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide has a molecular weight of 432.91 g/mol, XLogP of 5.83, 7 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]-2-propoxypyridine-4-carboxamide is sourced from PubChem (CID 58006497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).