N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide

C29H20N4O — CID 4622832

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C29H20N4O/c34-29(23-18-27(19-8-2-1-3-9-19)31-24-11-5-4-10-22(23)24)30-21-16-14-20(15-17-21)28-32-25-12-6-7-13-26(25)33-28/h1-18H,(H,30,34)(H,32,33)
InChIKeyOWPSUTQPNNGNJL-UHFFFAOYSA-N
MW440.51 g/mol
LogP6.70
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide (PubChem CID 4622832) has the molecular formula C29H20N4O and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide
PubChem CID4622832
Molecular FormulaC29H20N4O
Molecular Weight440.51 g/mol
Exact Mass440.16
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C29H20N4O/c34-29(23-18-27(19-8-2-1-3-9-19)31-24-11-5-4-10-22(23)24)30-21-16-14-20(15-17-21)28-32-25-12-6-7-13-26(25)33-28/h1-18H,(H,30,34)(H,32,33)
InChIKeyOWPSUTQPNNGNJL-UHFFFAOYSA-N
XLogP6.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 2234702
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
CID 26264638
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4855019
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008213
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide
CID 46823373
N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
CID 2318784
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide (CID 4622832) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is OWPSUTQPNNGNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O/c34-29(23-18-27(19-8-2-1-3-9-19)31-24-11-5-4-10-22(23)24)30-21-16-14-20(15-17-21)28-32-25-12-6-7-13-26(25)33-28/h1-18H,(H,30,34)(H,32,33).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 6.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4622832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).