4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide

C24H38N6O — CID 166195946

IUPAC4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
SMILESCCn1c(CCNC(=O)N2CCN(CCN3C(C)CCC3C)CC2)nc2ccccc21
InChIInChI=1S/C24H38N6O/c1-4-29-22-8-6-5-7-21(22)26-23(29)11-12-25-24(31)28-16-13-27(14-17-28)15-18-30-19(2)9-10-20(30)3/h5-8,19-20H,4,9-18H2,1-3H3,(H,25,31)
InChIKeyAAGKIFXLNCPZOW-UHFFFAOYSA-N
MW426.61 g/mol
LogP2.80
Rot. Bonds7

About 4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide

4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 166195946) has the molecular formula C24H38N6O and a molecular weight of 426.61 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID166195946
Molecular FormulaC24H38N6O
Molecular Weight426.61 g/mol
Exact Mass426.31
IUPAC Name4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
SMILESCCn1c(CCNC(=O)N2CCN(CCN3C(C)CCC3C)CC2)nc2ccccc21
InChIInChI=1S/C24H38N6O/c1-4-29-22-8-6-5-7-21(22)26-23(29)11-12-25-24(31)28-16-13-27(14-17-28)15-18-30-19(2)9-10-20(30)3/h5-8,19-20H,4,9-18H2,1-3H3,(H,25,31)
InChIKeyAAGKIFXLNCPZOW-UHFFFAOYSA-N
XLogP2.80
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-ethylbenzimidazol-2-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122873
(3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 99626639
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428120
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide
CID 86863132
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 119064849
(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 95235828
(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]-1-hydroxycyclopentane-1-carboxamide
CID 110909164
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide (CID 166195946) is 4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide is CCn1c(CCNC(=O)N2CCN(CCN3C(C)CCC3C)CC2)nc2ccccc21.
What is the InChIKey of 4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is AAGKIFXLNCPZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O/c1-4-29-22-8-6-5-7-21(22)26-23(29)11-12-25-24(31)28-16-13-27(14-17-28)15-18-30-19(2)9-10-20(30)3/h5-8,19-20H,4,9-18H2,1-3H3,(H,25,31).
What are the key properties of 4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide?
4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 426.61 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 166195946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).