2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone

C22H27N5O — CID 86905670

IUPAC2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCCc1nccn1C1CCCN(C(=O)Cn2c(C3CC3)nc3ccccc32)C1
InChIInChI=1S/C22H27N5O/c1-2-20-23-11-13-26(20)17-6-5-12-25(14-17)21(28)15-27-19-8-4-3-7-18(19)24-22(27)16-9-10-16/h3-4,7-8,11,13,16-17H,2,5-6,9-10,12,14-15H2,1H3
InChIKeyODDFZKWUCWIPGF-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.54
Rot. Bonds5

About 2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone

2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 86905670) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
PubChem CID86905670
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCCc1nccn1C1CCCN(C(=O)Cn2c(C3CC3)nc3ccccc32)C1
InChIInChI=1S/C22H27N5O/c1-2-20-23-11-13-26(20)17-6-5-12-25(14-17)21(28)15-27-19-8-4-3-7-18(19)24-22(27)16-9-10-16/h3-4,7-8,11,13,16-17H,2,5-6,9-10,12,14-15H2,1H3
InChIKeyODDFZKWUCWIPGF-UHFFFAOYSA-N
XLogP3.54
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95341017
2-(2-cyclopropylbenzimidazol-1-yl)-1-[(3R)-3-ethoxypiperidin-1-yl]ethanone
CID 95283403
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 95341898
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119881407
N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
CID 86935391
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone
CID 95341954

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone (CID 86905670) is 2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone is CCc1nccn1C1CCCN(C(=O)Cn2c(C3CC3)nc3ccccc32)C1.
What is the InChIKey of 2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is ODDFZKWUCWIPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-2-20-23-11-13-26(20)17-6-5-12-25(14-17)21(28)15-27-19-8-4-3-7-18(19)24-22(27)16-9-10-16/h3-4,7-8,11,13,16-17H,2,5-6,9-10,12,14-15H2,1H3.
What are the key properties of 2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone?
2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 377.49 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 86905670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).