1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide

C21H22N4O2 — CID 90680556

IUPAC1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C21H22N4O2/c1-14-12-15-6-4-5-7-17(15)25(14)11-10-22-20(26)16-8-9-18-19(13-16)24(3)21(27)23(18)2/h4-9,12-13H,10-11H2,1-3H3,(H,22,26)
InChIKeyJIWKHQVNODWESS-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.57
Rot. Bonds4

About 1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide

1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide (PubChem CID 90680556) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
PubChem CID90680556
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C21H22N4O2/c1-14-12-15-6-4-5-7-17(15)25(14)11-10-22-20(26)16-8-9-18-19(13-16)24(3)21(27)23(18)2/h4-9,12-13H,10-11H2,1-3H3,(H,22,26)
InChIKeyJIWKHQVNODWESS-UHFFFAOYSA-N
XLogP2.57
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680568
3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3288194
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]-3-nitrobenzamide
CID 4080837
N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide
CID 90680601
N-[2-(2-methylindol-1-yl)ethyl]-2,2-diphenylacetamide
CID 3473428
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 131925524
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide
CID 91625403

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide (CID 90680556) is 1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide?
The InChIKey is JIWKHQVNODWESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-12-15-6-4-5-7-17(15)25(14)11-10-22-20(26)16-8-9-18-19(13-16)24(3)21(27)23(18)2/h4-9,12-13H,10-11H2,1-3H3,(H,22,26).
What are the key properties of 1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide?
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 90680556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).