[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone

C15H13ClN4O2 — CID 29214805

IUPAC[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H13ClN4O2/c16-9-3-4-10-12(8-9)18-14(17-10)13-2-1-6-20(13)15(21)11-5-7-22-19-11/h3-5,7-8,13H,1-2,6H2,(H,17,18)/t13-/m0/s1
InChIKeyHTUKEEZYZLYRIS-ZDUSSCGKSA-N
MW316.75 g/mol
LogP3.18
Rot. Bonds2

About [(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone

[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 29214805) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is [(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
PubChem CID29214805
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H13ClN4O2/c16-9-3-4-10-12(8-9)18-14(17-10)13-2-1-6-20(13)15(21)11-5-7-22-19-11/h3-5,7-8,13H,1-2,6H2,(H,17,18)/t13-/m0/s1
InChIKeyHTUKEEZYZLYRIS-ZDUSSCGKSA-N
XLogP3.18
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 119064094
[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131930977
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 94485262
[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 124614174
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 134061764
2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95897263
[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone
CID 146024697
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone
CID 55629262
[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 70732393
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 95888888
[(2S)-2-[6-[4-[2-[(2S)-1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone;sulfane
CID 158707826
2-[6-(bromomethyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 66750526

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The IUPAC name of [(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone (CID 29214805) is [(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone is O=C(c1ccon1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of [(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The InChIKey is HTUKEEZYZLYRIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c16-9-3-4-10-12(8-9)18-14(17-10)13-2-1-6-20(13)15(21)11-5-7-22-19-11/h3-5,7-8,13H,1-2,6H2,(H,17,18)/t13-/m0/s1.
What are the key properties of [(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 316.75 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 29214805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).