1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide

C17H15N5O2 — CID 166394070

IUPAC1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide
SMILESCc1cc2[nH]ncc2cc1NC(=O)c1cccc2c1[nH]c(=O)n2C
InChIInChI=1S/C17H15N5O2/c1-9-6-13-10(8-18-21-13)7-12(9)19-16(23)11-4-3-5-14-15(11)20-17(24)22(14)2/h3-8H,1-2H3,(H,18,21)(H,19,23)(H,20,24)
InChIKeyKMVHHOSOSIVTNZ-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.30
Rot. Bonds2

About 1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide

1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide (PubChem CID 166394070) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide
PubChem CID166394070
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide
SMILESCc1cc2[nH]ncc2cc1NC(=O)c1cccc2c1[nH]c(=O)n2C
InChIInChI=1S/C17H15N5O2/c1-9-6-13-10(8-18-21-13)7-12(9)19-16(23)11-4-3-5-14-15(11)20-17(24)22(14)2/h3-8H,1-2H3,(H,18,21)(H,19,23)(H,20,24)
InChIKeyKMVHHOSOSIVTNZ-UHFFFAOYSA-N
XLogP2.30
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide
CID 154835907
methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate
CID 43048612
2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 46249111
3-amino-N-(5-methyl-1H-indazol-6-yl)propanamide;hydrochloride
CID 119317530
N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701118
2-fluoro-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 16765362
N-(1H-indazol-7-yl)-2-(methylamino)benzamide
CID 61376523
N-(2-acetylphenyl)-1H-indazole-6-carboxamide
CID 110485418
6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide
CID 169132505
N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62921443
N-(2,4-dimethoxyphenyl)-1H-indazole-7-carboxamide
CID 36805049
2-hydroxyimino-N-(5-methyl-1H-indazol-6-yl)acetamide
CID 173074715

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide (CID 166394070) is 1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide is Cc1cc2[nH]ncc2cc1NC(=O)c1cccc2c1[nH]c(=O)n2C.
What is the InChIKey of 1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide?
The InChIKey is KMVHHOSOSIVTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-9-6-13-10(8-18-21-13)7-12(9)19-16(23)11-4-3-5-14-15(11)20-17(24)22(14)2/h3-8H,1-2H3,(H,18,21)(H,19,23)(H,20,24).
What are the key properties of 1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide?
1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6-methyl-1H-indazol-5-yl)-2-oxo-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 166394070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).