N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide

C17H14N4O — CID 112523785

IUPACN-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cccc4cc[nH]c34)cc2[nH]1
InChIInChI=1S/C17H14N4O/c1-10-19-14-6-5-12(9-15(14)20-10)21-17(22)13-4-2-3-11-7-8-18-16(11)13/h2-9,18H,1H3,(H,19,20)(H,21,22)
InChIKeyDETIGSKPBWWIFR-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.60
Rot. Bonds2

About N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide

N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide (PubChem CID 112523785) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide
PubChem CID112523785
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cccc4cc[nH]c34)cc2[nH]1
InChIInChI=1S/C17H14N4O/c1-10-19-14-6-5-12(9-15(14)20-10)21-17(22)13-4-2-3-11-7-8-18-16(11)13/h2-9,18H,1H3,(H,19,20)(H,21,22)
InChIKeyDETIGSKPBWWIFR-UHFFFAOYSA-N
XLogP3.60
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
CID 110205491
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide
CID 112525968
N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide
CID 110743882
N-(1-methylbenzimidazol-5-yl)-1H-indole-7-carboxamide
CID 112527528
2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 60707578
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
N-(2-methyl-3-pyridinyl)-1H-indole-7-carboxamide
CID 79044351
2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide
CID 112523655
N-(6-carbamoyl-3-pyridinyl)-1H-indole-7-carboxamide
CID 75396193
N-[3-(1H-imidazol-5-yl)phenyl]-1H-indole-7-carboxamide
CID 131921284

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide?
The IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide (CID 112523785) is N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide is Cc1nc2ccc(NC(=O)c3cccc4cc[nH]c34)cc2[nH]1.
What is the InChIKey of N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide?
The InChIKey is DETIGSKPBWWIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-10-19-14-6-5-12(9-15(14)20-10)21-17(22)13-4-2-3-11-7-8-18-16(11)13/h2-9,18H,1H3,(H,19,20)(H,21,22).
What are the key properties of N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide?
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 112523785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).