2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone

C20H27N3O2 — CID 95286829

IUPAC2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCCn1c([C@H]2CCCN2C(=O)COC2CCCC2)nc2ccccc21
InChIInChI=1S/C20H27N3O2/c1-2-22-17-11-6-5-10-16(17)21-20(22)18-12-7-13-23(18)19(24)14-25-15-8-3-4-9-15/h5-6,10-11,15,18H,2-4,7-9,12-14H2,1H3/t18-/m1/s1
InChIKeyIKPQYEHCCDKGCD-GOSISDBHSA-N
MW341.46 g/mol
LogP3.68
Rot. Bonds5

About 2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone

2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95286829) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID95286829
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCCn1c([C@H]2CCCN2C(=O)COC2CCCC2)nc2ccccc21
InChIInChI=1S/C20H27N3O2/c1-2-22-17-11-6-5-10-16(17)21-20(22)18-12-7-13-23(18)19(24)14-25-15-8-3-4-9-15/h5-6,10-11,15,18H,2-4,7-9,12-14H2,1H3/t18-/m1/s1
InChIKeyIKPQYEHCCDKGCD-GOSISDBHSA-N
XLogP3.68
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119872625
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119872644
1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92735820
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92721055
5-[(2S)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124684072
N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide
CID 17027862
1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 124684087
4-(2,3-dichlorophenoxy)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 60620932
3-(4-bromo-2-fluorophenyl)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 60621240
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 124592970
4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 95278101

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone (CID 95286829) is 2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone is CCn1c([C@H]2CCCN2C(=O)COC2CCCC2)nc2ccccc21.
What is the InChIKey of 2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is IKPQYEHCCDKGCD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-22-17-11-6-5-10-16(17)21-20(22)18-12-7-13-23(18)19(24)14-25-15-8-3-4-9-15/h5-6,10-11,15,18H,2-4,7-9,12-14H2,1H3/t18-/m1/s1.
What are the key properties of 2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 341.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95286829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).