methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate

C19H23N3O3 — CID 16965351

IUPACmethyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(C2CC(=O)N(C3CCCC3)C2)nc2ccccc21
InChIInChI=1S/C19H23N3O3/c1-25-18(24)12-22-16-9-5-4-8-15(16)20-19(22)13-10-17(23)21(11-13)14-6-2-3-7-14/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3
InChIKeyHVVWAIVUIPUHRT-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.47
Rot. Bonds4

About methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate

methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate (PubChem CID 16965351) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate
PubChem CID16965351
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(C2CC(=O)N(C3CCCC3)C2)nc2ccccc21
InChIInChI=1S/C19H23N3O3/c1-25-18(24)12-22-16-9-5-4-8-15(16)20-19(22)13-10-17(23)21(11-13)14-6-2-3-7-14/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3
InChIKeyHVVWAIVUIPUHRT-UHFFFAOYSA-N
XLogP2.47
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965242
(4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one
CID 39730145
1-cyclopentyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965220
1-cyclohexyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005272
1-cyclopentyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965206
4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one
CID 17005290
1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005289
2-[2-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16965173
4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
CID 16965247
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
CID 17005302
1-cyclohexyl-4-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005389
1-cyclopentyl-4-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965306

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate (CID 16965351) is methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate is COC(=O)Cn1c(C2CC(=O)N(C3CCCC3)C2)nc2ccccc21.
What is the InChIKey of methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate?
The InChIKey is HVVWAIVUIPUHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-25-18(24)12-22-16-9-5-4-8-15(16)20-19(22)13-10-17(23)21(11-13)14-6-2-3-7-14/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3.
What are the key properties of methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate?
methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate has a molecular weight of 341.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 16965351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).