6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one

C17H23FN4O — CID 70969353

IUPAC6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC1(N2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)CCNC1
InChIInChI=1S/C17H23FN4O/c1-17(6-7-19-11-17)21-8-4-13(5-9-21)22-15-3-2-12(18)10-14(15)20-16(22)23/h2-3,10,13,19H,4-9,11H2,1H3,(H,20,23)
InChIKeyRZXNPICWBHQNEU-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.86
Rot. Bonds2

About 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one

6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 70969353) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID70969353
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC1(N2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)CCNC1
InChIInChI=1S/C17H23FN4O/c1-17(6-7-19-11-17)21-8-4-13(5-9-21)22-15-3-2-12(18)10-14(15)20-16(22)23/h2-3,10,13,19H,4-9,11H2,1H3,(H,20,23)
InChIKeyRZXNPICWBHQNEU-UHFFFAOYSA-N
XLogP1.86
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614
6-fluoro-3-[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 141196679
6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 70969326
ethyl 3-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylate
CID 162194377
3-(1,1-dioxothian-3-yl)-6-fluoro-1H-benzimidazol-2-one
CID 117207164
6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one
CID 117207211
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 44573689
N-(4-chlorophenyl)-4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide
CID 151969073
6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 19863642
methyl 3-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)cyclobutane-1-carboxylate
CID 135182945
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
CID 117208462
6-fluoro-3-[1-[[2-(2-fluorophenyl)-1,4-dioxan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 57303494

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 70969353) is 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one is CC1(N2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)CCNC1.
What is the InChIKey of 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is RZXNPICWBHQNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-17(6-7-19-11-17)21-8-4-13(5-9-21)22-15-3-2-12(18)10-14(15)20-16(22)23/h2-3,10,13,19H,4-9,11H2,1H3,(H,20,23).
What are the key properties of 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 318.40 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 70969353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).