1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one

C15H19N3O — CID 42536555

IUPAC1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C
InChIInChI=1S/C15H19N3O/c1-3-14(19)18-10-6-9-13(18)15-16-11-7-4-5-8-12(11)17(15)2/h4-5,7-8,13H,3,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyLXNPHBUZESBOLY-ZDUSSCGKSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds2

About 1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one

1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 42536555) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID42536555
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C
InChIInChI=1S/C15H19N3O/c1-3-14(19)18-10-6-9-13(18)15-16-11-7-4-5-8-12(11)17(15)2/h4-5,7-8,13H,3,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyLXNPHBUZESBOLY-ZDUSSCGKSA-N
XLogP2.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
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1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
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1-[(2R)-2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92735816
1-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
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CID 17027862
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 42536555) is 1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C.
What is the InChIKey of 1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is LXNPHBUZESBOLY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-14(19)18-10-6-9-13(18)15-16-11-7-4-5-8-12(11)17(15)2/h4-5,7-8,13H,3,6,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 42536555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).