N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide

C21H24N4O — CID 86863132

IUPACN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide
SMILESCCn1c(CCNC(=O)N2CC(C)c3ccccc32)nc2ccccc21
InChIInChI=1S/C21H24N4O/c1-3-24-19-11-7-5-9-17(19)23-20(24)12-13-22-21(26)25-14-15(2)16-8-4-6-10-18(16)25/h4-11,15H,3,12-14H2,1-2H3,(H,22,26)
InChIKeyIZSDEFVXPOSVMM-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.93
Rot. Bonds4

About N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 86863132) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID86863132
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide
SMILESCCn1c(CCNC(=O)N2CC(C)c3ccccc32)nc2ccccc21
InChIInChI=1S/C21H24N4O/c1-3-24-19-11-7-5-9-17(19)23-20(24)12-13-22-21(26)25-14-15(2)16-8-4-6-10-18(16)25/h4-11,15H,3,12-14H2,1-2H3,(H,22,26)
InChIKeyIZSDEFVXPOSVMM-UHFFFAOYSA-N
XLogP3.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-ethylbenzimidazol-2-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122873
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
(3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 99626639
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110909164
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428120
4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 166195946
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
(2S)-2-ethyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99831186
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119866315
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119866339
(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 95235828

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide (CID 86863132) is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide is CCn1c(CCNC(=O)N2CC(C)c3ccccc32)nc2ccccc21.
What is the InChIKey of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is IZSDEFVXPOSVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-24-19-11-7-5-9-17(19)23-20(24)12-13-22-21(26)25-14-15(2)16-8-4-6-10-18(16)25/h4-11,15H,3,12-14H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 86863132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).