N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide

C17H14N4O — CID 110205491

IUPACN-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2[nH]1
InChIInChI=1S/C17H14N4O/c1-10-19-14-5-4-13(9-16(14)20-10)21-17(22)12-3-2-11-6-7-18-15(11)8-12/h2-9,18H,1H3,(H,19,20)(H,21,22)
InChIKeyLPGRALLDVXFKRG-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.60
Rot. Bonds2

About N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide

N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide (PubChem CID 110205491) 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-6-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
PubChem CID110205491
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2[nH]1
InChIInChI=1S/C17H14N4O/c1-10-19-14-5-4-13(9-16(14)20-10)21-17(22)12-3-2-11-6-7-18-15(11)8-12/h2-9,18H,1H3,(H,19,20)(H,21,22)
InChIKeyLPGRALLDVXFKRG-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-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide
CID 71918413
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide
CID 112523785
N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
CID 39709233
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 112523669
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 75450140
N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide
CID 67686907
N-(3-methyl-4-pyridinyl)-1H-indole-6-carboxamide
CID 63709047
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide
CID 167796814
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide (CID 110205491) is N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide is Cc1nc2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2[nH]1.
What is the InChIKey of N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide?
The InChIKey is LPGRALLDVXFKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-10-19-14-5-4-13(9-16(14)20-10)21-17(22)12-3-2-11-6-7-18-15(11)8-12/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-6-carboxamide?
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-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-6-carboxamide is sourced from PubChem (CID 110205491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).