5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide

C19H15ClN6O2 — CID 165368486

IUPAC5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(N)=O)c1C(=O)Nc1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1
InChIInChI=1S/C19H15ClN6O2/c1-26-16(13(9-22-26)17(21)27)19(28)23-12-5-6-14-15(8-12)25-18(24-14)10-3-2-4-11(20)7-10/h2-9H,1H3,(H2,21,27)(H,23,28)(H,24,25)
InChIKeyKJAPBOGTURWSJN-UHFFFAOYSA-N
MW394.82 g/mol
LogP2.97
Rot. Bonds4

About 5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide

5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide (PubChem CID 165368486) has the molecular formula C19H15ClN6O2 and a molecular weight of 394.82 g/mol. Its IUPAC name is 5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide
PubChem CID165368486
Molecular FormulaC19H15ClN6O2
Molecular Weight394.82 g/mol
Exact Mass394.09
IUPAC Name5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(N)=O)c1C(=O)Nc1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1
InChIInChI=1S/C19H15ClN6O2/c1-26-16(13(9-22-26)17(21)27)19(28)23-12-5-6-14-15(8-12)25-18(24-14)10-3-2-4-11(20)7-10/h2-9H,1H3,(H2,21,27)(H,23,28)(H,24,25)
InChIKeyKJAPBOGTURWSJN-UHFFFAOYSA-N
XLogP2.97
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide
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N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
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4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
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2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690329
N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide
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ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
CID 100579998
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide (CID 165368486) is 5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide is Cn1ncc(C(N)=O)c1C(=O)Nc1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1.
What is the InChIKey of 5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide?
The InChIKey is KJAPBOGTURWSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O2/c1-26-16(13(9-22-26)17(21)27)19(28)23-12-5-6-14-15(8-12)25-18(24-14)10-3-2-4-11(20)7-10/h2-9H,1H3,(H2,21,27)(H,23,28)(H,24,25).
What are the key properties of 5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide?
5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide has a molecular weight of 394.82 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 165368486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).