N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide

C24H16ClN5O2 — CID 52692930

IUPACN-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C24H16ClN5O2/c25-18-9-5-4-8-17(18)23-27-19-11-10-15(14-21(19)28-23)26-24(32)20-12-13-22(31)30(29-20)16-6-2-1-3-7-16/h1-14H,(H,26,32)(H,27,28)
InChIKeyKRQPWIPUSWLEAP-UHFFFAOYSA-N
MW441.88 g/mol
LogP4.68
Rot. Bonds4

About N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 52692930) has the molecular formula C24H16ClN5O2 and a molecular weight of 441.88 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID52692930
Molecular FormulaC24H16ClN5O2
Molecular Weight441.88 g/mol
Exact Mass441.10
IUPAC NameN-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C24H16ClN5O2/c25-18-9-5-4-8-17(18)23-27-19-11-10-15(14-21(19)28-23)26-24(32)20-12-13-22(31)30(29-20)16-6-2-1-3-7-16/h1-14H,(H,26,32)(H,27,28)
InChIKeyKRQPWIPUSWLEAP-UHFFFAOYSA-N
XLogP4.68
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.88
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(2-chlorophenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690291
N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
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N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide
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CID 55885683
6-oxo-1-phenyl-N-(3-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
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N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 37401680
N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019
N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide
CID 10413942
N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 91642770
N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55657959

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 52692930) is N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide is O=C(Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is KRQPWIPUSWLEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O2/c25-18-9-5-4-8-17(18)23-27-19-11-10-15(14-21(19)28-23)26-24(32)20-12-13-22(31)30(29-20)16-6-2-1-3-7-16/h1-14H,(H,26,32)(H,27,28).
What are the key properties of N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 441.88 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 52692930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).