2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

C19H22N4O2 — CID 138992910

IUPAC2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C19H22N4O2/c1-3-18-20-14-7-4-5-8-15(14)23(18)12-19(24)22-10-6-9-16(22)17-11-13(2)21-25-17/h4-5,7-8,11,16H,3,6,9-10,12H2,1-2H3
InChIKeyIVPYHEHYAOUGSY-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.26
Rot. Bonds4

About 2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 138992910) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID138992910
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C19H22N4O2/c1-3-18-20-14-7-4-5-8-15(14)23(18)12-19(24)22-10-6-9-16(22)17-11-13(2)21-25-17/h4-5,7-8,11,16H,3,6,9-10,12H2,1-2H3
InChIKeyIVPYHEHYAOUGSY-UHFFFAOYSA-N
XLogP3.26
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 40713288
2-(2-ethylbenzimidazol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 138993183
ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 60976035
2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963154
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 53017109
2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 94137715
(2S)-N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139767
2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 118786881
2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 62113566
2-(cyclopentylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963976
2-(cyclopropylmethylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 54873423
2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 40823641

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (CID 138992910) is 2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is CCc1nc2ccccc2n1CC(=O)N1CCCC1c1cc(C)no1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is IVPYHEHYAOUGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-18-20-14-7-4-5-8-15(14)23(18)12-19(24)22-10-6-9-16(22)17-11-13(2)21-25-17/h4-5,7-8,11,16H,3,6,9-10,12H2,1-2H3.
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 138992910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).