N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide

C21H22N4O — CID 131947501

IUPACN-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide
SMILESCCc1nc2cc(NC(=O)c3ccc4ccn(C)c4c3)ccc2n1CC
InChIInChI=1S/C21H22N4O/c1-4-20-23-17-13-16(8-9-18(17)25(20)5-2)22-21(26)15-7-6-14-10-11-24(3)19(14)12-15/h6-13H,4-5H2,1-3H3,(H,22,26)
InChIKeyFCCSGVWWTRVTME-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.36
Rot. Bonds4

About N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide

N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide (PubChem CID 131947501) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide.

Molecular Properties

Compound NameN-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide
PubChem CID131947501
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide
SMILESCCc1nc2cc(NC(=O)c3ccc4ccn(C)c4c3)ccc2n1CC
InChIInChI=1S/C21H22N4O/c1-4-20-23-17-13-16(8-9-18(17)25(20)5-2)22-21(26)15-7-6-14-10-11-24(3)19(14)12-15/h6-13H,4-5H2,1-3H3,(H,22,26)
InChIKeyFCCSGVWWTRVTME-UHFFFAOYSA-N
XLogP4.36
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide
CID 131921782
N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide
CID 131891899
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238
methyl 1,2-diethylbenzimidazole-5-carboxylate
CID 167201887
N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide
CID 100776792
N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 46964217
N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide
CID 112521520
3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236159
N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]-4-fluorobenzamide
CID 42536661
N-(1,2-diethylbenzimidazol-5-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 46971884
N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-3-nitrobenzamide
CID 17236129
4-tert-butyl-N-(1-methylindol-5-yl)benzamide
CID 70990201

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide?
The IUPAC name of N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide (CID 131947501) is N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide.
What is the SMILES notation for N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide?
The canonical SMILES for N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide is CCc1nc2cc(NC(=O)c3ccc4ccn(C)c4c3)ccc2n1CC.
What is the InChIKey of N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide?
The InChIKey is FCCSGVWWTRVTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-20-23-17-13-16(8-9-18(17)25(20)5-2)22-21(26)15-7-6-14-10-11-24(3)19(14)12-15/h6-13H,4-5H2,1-3H3,(H,22,26).
What are the key properties of N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide?
N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide is sourced from PubChem (CID 131947501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).