N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide

C22H17N5O — CID 58483609

IUPACN-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4nc[nH]c4c3)ccc12
InChIInChI=1S/C22H17N5O/c1-14-18-9-8-16(12-21(18)27(26-14)17-5-3-2-4-6-17)25-22(28)15-7-10-19-20(11-15)24-13-23-19/h2-13H,1H3,(H,23,24)(H,25,28)
InChIKeyFXOUKIMZXIBVCA-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.46
Rot. Bonds3

About N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide

N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 58483609) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide
PubChem CID58483609
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4nc[nH]c4c3)ccc12
InChIInChI=1S/C22H17N5O/c1-14-18-9-8-16(12-21(18)27(26-14)17-5-3-2-4-6-17)25-22(28)15-7-10-19-20(11-15)24-13-23-19/h2-13H,1H3,(H,23,24)(H,25,28)
InChIKeyFXOUKIMZXIBVCA-UHFFFAOYSA-N
XLogP4.46
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
CID 115161081
N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 75445136
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 64788874
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-(4-methyl-2-oxochromen-7-yl)-3H-benzimidazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 134150768
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67113871

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide (CID 58483609) is N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide is Cc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4nc[nH]c4c3)ccc12.
What is the InChIKey of N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is FXOUKIMZXIBVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-14-18-9-8-16(12-21(18)27(26-14)17-5-3-2-4-6-17)25-22(28)15-7-10-19-20(11-15)24-13-23-19/h2-13H,1H3,(H,23,24)(H,25,28).
What are the key properties of N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide?
N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58483609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).