2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide

C23H14Cl2N4O — CID 66965626

IUPAC2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C23H14Cl2N4O/c24-15-5-3-6-16(25)21(15)22-27-18-10-8-14(12-19(18)28-22)23(30)29-20-11-9-13-4-1-2-7-17(13)26-20/h1-12H,(H,27,28)(H,26,29,30)
InChIKeyXIRYKZJMHIJWCE-UHFFFAOYSA-N
MW433.30 g/mol
LogP6.34
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide

2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 66965626) has the molecular formula C23H14Cl2N4O and a molecular weight of 433.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID66965626
Molecular FormulaC23H14Cl2N4O
Molecular Weight433.30 g/mol
Exact Mass432.05
IUPAC Name2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C23H14Cl2N4O/c24-15-5-3-6-16(25)21(15)22-27-18-10-8-14(12-19(18)28-22)23(30)29-20-11-9-13-4-1-2-7-17(13)26-20/h1-12H,(H,27,28)(H,26,29,30)
InChIKeyXIRYKZJMHIJWCE-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-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 173123224
methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate
CID 66965705
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide
CID 58156302
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 66965647
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 66965658
N-quinolin-2-ylnaphthalene-2-carboxamide
CID 46811579
9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide
CID 143659609

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide (CID 66965626) is 2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc2ccccc2n1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is XIRYKZJMHIJWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N4O/c24-15-5-3-6-16(25)21(15)22-27-18-10-8-14(12-19(18)28-22)23(30)29-20-11-9-13-4-1-2-7-17(13)26-20/h1-12H,(H,27,28)(H,26,29,30).
What are the key properties of 2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-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 2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66965626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).