[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone

C18H15ClFN3O — CID 121193749

IUPAC[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1Cl)N1CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C18H15ClFN3O/c19-15-6-5-12(20)9-14(15)18(24)22-8-7-13(10-22)23-11-21-16-3-1-2-4-17(16)23/h1-6,9,11,13H,7-8,10H2
InChIKeyXBFAHIVKWOTZEX-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.92
Rot. Bonds2

About [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone

[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone (PubChem CID 121193749) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone
PubChem CID121193749
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1Cl)N1CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C18H15ClFN3O/c19-15-6-5-12(20)9-14(15)18(24)22-8-7-13(10-22)23-11-21-16-3-1-2-4-17(16)23/h1-6,9,11,13H,7-8,10H2
InChIKeyXBFAHIVKWOTZEX-UHFFFAOYSA-N
XLogP3.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 121193758
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 23641500
1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
CID 46090271
1-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-3-phenylsulfanylpropan-1-one
CID 121193761
2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 1469420
4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide
CID 121193865
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
1-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 171137248
1-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
CID 121193826
4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide
CID 1462301
(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 75977527

Frequently Asked Questions

What is the IUPAC name of [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone?
The IUPAC name of [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone (CID 121193749) is [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone.
What is the SMILES notation for [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone?
The canonical SMILES for [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone is O=C(c1cc(F)ccc1Cl)N1CCC(n2cnc3ccccc32)C1.
What is the InChIKey of [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone?
The InChIKey is XBFAHIVKWOTZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c19-15-6-5-12(20)9-14(15)18(24)22-8-7-13(10-22)23-11-21-16-3-1-2-4-17(16)23/h1-6,9,11,13H,7-8,10H2.
What are the key properties of [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone?
[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone has a molecular weight of 343.79 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone is sourced from PubChem (CID 121193749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).