N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide

C23H14Cl2N4O — CID 58156302

IUPACN-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1)c1ccc2ccccc2n1
InChIInChI=1S/C23H14Cl2N4O/c24-15-5-3-6-16(25)21(15)22-28-18-11-9-14(12-20(18)29-22)26-23(30)19-10-8-13-4-1-2-7-17(13)27-19/h1-12H,(H,26,30)(H,28,29)
InChIKeyUDRZMQZQLBLLEV-UHFFFAOYSA-N
MW433.30 g/mol
LogP6.34
Rot. Bonds3

About N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide

N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide (PubChem CID 58156302) has the molecular formula C23H14Cl2N4O and a molecular weight of 433.30 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide
PubChem CID58156302
Molecular FormulaC23H14Cl2N4O
Molecular Weight433.30 g/mol
Exact Mass432.05
IUPAC NameN-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1)c1ccc2ccccc2n1
InChIInChI=1S/C23H14Cl2N4O/c24-15-5-3-6-16(25)21(15)22-28-18-11-9-14(12-20(18)29-22)26-23(30)19-10-8-13-4-1-2-7-17(13)27-19/h1-12H,(H,26,30)(H,28,29)
InChIKeyUDRZMQZQLBLLEV-UHFFFAOYSA-N
XLogP6.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.30
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-phenylacetamide
CID 25066173
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide
CID 25066170
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide
CID 25066171
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 87217495
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567
N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965413
2-(2,6-dichlorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 25064923
2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 173123224

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide (CID 58156302) is N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide is O=C(Nc1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide?
The InChIKey is UDRZMQZQLBLLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N4O/c24-15-5-3-6-16(25)21(15)22-28-18-11-9-14(12-20(18)29-22)26-23(30)19-10-8-13-4-1-2-7-17(13)27-19/h1-12H,(H,26,30)(H,28,29).
What are the key properties of N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide?
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide has a molecular weight of 433.30 g/mol, XLogP of 6.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide is sourced from PubChem (CID 58156302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).