(2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate

C15H17N3O3 — CID 75388003

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate
SMILESCn1cnc2cc(C(=O)OCC(=O)N3CCCC3)ccc21
InChIInChI=1S/C15H17N3O3/c1-17-10-16-12-8-11(4-5-13(12)17)15(20)21-9-14(19)18-6-2-3-7-18/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyFROHQDHCVINYPW-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.35
Rot. Bonds3

About (2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate (PubChem CID 75388003) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate
PubChem CID75388003
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate
SMILESCn1cnc2cc(C(=O)OCC(=O)N3CCCC3)ccc21
InChIInChI=1S/C15H17N3O3/c1-17-10-16-12-8-11(4-5-13(12)17)15(20)21-9-14(19)18-6-2-3-7-18/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyFROHQDHCVINYPW-UHFFFAOYSA-N
XLogP1.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772869
(2-oxo-2-pyrrolidin-1-ylethyl) 2-chloropyridine-4-carboxylate
CID 23773721
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
[2-(azepan-1-yl)-2-oxoethyl] 3H-benzimidazole-5-carboxylate
CID 23744569
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
(2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane
CID 145271189
(2-oxo-2-pyrrolidin-1-ylethyl) 4-fluorobenzoate
CID 2371316
(2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate
CID 61323137
[1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone
CID 116921662
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate (CID 75388003) is (2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate is Cn1cnc2cc(C(=O)OCC(=O)N3CCCC3)ccc21.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate?
The InChIKey is FROHQDHCVINYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17-10-16-12-8-11(4-5-13(12)17)15(20)21-9-14(19)18-6-2-3-7-18/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate is sourced from PubChem (CID 75388003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).