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

C16H13N5O — CID 110701118

IUPACN-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)Nc3ccc4cn[nH]c4c3)cccc2[nH]1
InChIInChI=1S/C16H13N5O/c1-9-18-13-4-2-3-12(15(13)19-9)16(22)20-11-6-5-10-8-17-21-14(10)7-11/h2-8H,1H3,(H,17,21)(H,18,19)(H,20,22)
InChIKeyVAKKFAINIRDSHD-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.00
Rot. Bonds2

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

N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide (PubChem CID 110701118) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide
PubChem CID110701118
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC NameN-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)Nc3ccc4cn[nH]c4c3)cccc2[nH]1
InChIInChI=1S/C16H13N5O/c1-9-18-13-4-2-3-12(15(13)19-9)16(22)20-11-6-5-10-8-17-21-14(10)7-11/h2-8H,1H3,(H,17,21)(H,18,19)(H,20,22)
InChIKeyVAKKFAINIRDSHD-UHFFFAOYSA-N
XLogP3.00
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
CID 110701067
N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701119
N-(1H-indazol-6-yl)-1H-indole-4-carboxamide
CID 61258694
4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336
2-fluoro-N-(1H-indazol-6-yl)-5-methylbenzamide
CID 62512997
5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 65311641
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
N-(1H-indazol-6-yl)-2,6-dimethoxybenzamide
CID 110731190
N-(1H-indazol-6-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692000
N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698951
N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574300
N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763744

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide (CID 110701118) is N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide is Cc1nc2c(C(=O)Nc3ccc4cn[nH]c4c3)cccc2[nH]1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide?
The InChIKey is VAKKFAINIRDSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-9-18-13-4-2-3-12(15(13)19-9)16(22)20-11-6-5-10-8-17-21-14(10)7-11/h2-8H,1H3,(H,17,21)(H,18,19)(H,20,22).
What are the key properties of N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide?
N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 110701118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).