N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide

C19H18N4O — CID 112527602

IUPACN-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide
SMILESCc1nc2cc(NC(=O)c3cccc4ccn(C)c34)ccc2n1C
InChIInChI=1S/C19H18N4O/c1-12-20-16-11-14(7-8-17(16)23(12)3)21-19(24)15-6-4-5-13-9-10-22(2)18(13)15/h4-11H,1-3H3,(H,21,24)
InChIKeyMCKDCNWVNCYWAO-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.63
Rot. Bonds2

About N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide

N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide (PubChem CID 112527602) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide
PubChem CID112527602
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide
SMILESCc1nc2cc(NC(=O)c3cccc4ccn(C)c34)ccc2n1C
InChIInChI=1S/C19H18N4O/c1-12-20-16-11-14(7-8-17(16)23(12)3)21-19(24)15-6-4-5-13-9-10-22(2)18(13)15/h4-11H,1-3H3,(H,21,24)
InChIKeyMCKDCNWVNCYWAO-UHFFFAOYSA-N
XLogP3.63
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-1-methylindole-7-carboxamide
CID 112521009
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
CID 894122
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497
N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide
CID 112527535
2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110779237
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide (CID 112527602) is N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide is Cc1nc2cc(NC(=O)c3cccc4ccn(C)c34)ccc2n1C.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide?
The InChIKey is MCKDCNWVNCYWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12-20-16-11-14(7-8-17(16)23(12)3)21-19(24)15-6-4-5-13-9-10-22(2)18(13)15/h4-11H,1-3H3,(H,21,24).
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide?
N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide is sourced from PubChem (CID 112527602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).