N-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide

C28H24N6O2 — CID 166195046

IUPACN-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C28H24N6O2/c35-27(20-8-10-24-25(17-20)30-18-29-24)31-22-6-3-5-21(16-22)28(36)34-14-12-33(13-15-34)26-11-9-19-4-1-2-7-23(19)32-26/h1-11,16-18H,12-15H2,(H,29,30)(H,31,35)
InChIKeyZIUVKHLMKFWDRC-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.33
Rot. Bonds4

About N-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide

N-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 166195046) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID166195046
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC NameN-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C28H24N6O2/c35-27(20-8-10-24-25(17-20)30-18-29-24)31-22-6-3-5-21(16-22)28(36)34-14-12-33(13-15-34)26-11-9-19-4-1-2-7-23(19)32-26/h1-11,16-18H,12-15H2,(H,29,30)(H,31,35)
InChIKeyZIUVKHLMKFWDRC-UHFFFAOYSA-N
XLogP4.33
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
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N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119631600
N-[3-(morpholine-4-carbonyl)phenyl]quinoline-7-carboxamide
CID 155312844
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
3H-benzimidazol-5-yl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814747
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
3H-benzimidazol-5-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113874
N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 91266740
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 166195046) is N-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide is O=C(Nc1cccc(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)c1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ZIUVKHLMKFWDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c35-27(20-8-10-24-25(17-20)30-18-29-24)31-22-6-3-5-21(16-22)28(36)34-14-12-33(13-15-34)26-11-9-19-4-1-2-7-23(19)32-26/h1-11,16-18H,12-15H2,(H,29,30)(H,31,35).
What are the key properties of N-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide?
N-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-quinolin-2-ylpiperazine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 166195046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).