3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide

C23H25FN4O3 — CID 126710679

IUPAC3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide
SMILESCN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(CF)c2)n3CCCO)C1=O
InChIInChI=1S/C23H25FN4O3/c1-27-10-8-18(22(27)31)16-6-7-20-19(13-16)25-23(28(20)9-3-11-29)26-21(30)17-5-2-4-15(12-17)14-24/h2,4-7,12-13,18,29H,3,8-11,14H2,1H3,(H,25,26,30)
InChIKeyJJXBZBQFZIMANY-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.09
Rot. Bonds7

About 3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide

3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide (PubChem CID 126710679) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide
PubChem CID126710679
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide
SMILESCN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(CF)c2)n3CCCO)C1=O
InChIInChI=1S/C23H25FN4O3/c1-27-10-8-18(22(27)31)16-6-7-20-19(13-16)25-23(28(20)9-3-11-29)26-21(30)17-5-2-4-15(12-17)14-24/h2,4-7,12-13,18,29H,3,8-11,14H2,1H3,(H,25,26,30)
InChIKeyJJXBZBQFZIMANY-UHFFFAOYSA-N
XLogP3.09
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide 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

N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689252
3-[1-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]benzimidazol-5-yl]-1-methylpyrrolidin-2-one
CID 166958198
N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689245
N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(1-methyl-2-oxopiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689334
N-[1-[(3S)-3,4-dihydroxybutyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689311
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]benzamide
CID 126688276
N-[5-(6-cyclopropyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 140899980
N-[5-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688464
N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylaminosulfanyl)benzamide
CID 156570642
N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(hydroxymethyl)benzamide
CID 58742704
N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 145277966
N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide
CID 126688463

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide?
The IUPAC name of 3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide (CID 126710679) is 3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide is CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(CF)c2)n3CCCO)C1=O.
What is the InChIKey of 3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide?
The InChIKey is JJXBZBQFZIMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-27-10-8-18(22(27)31)16-6-7-20-19(13-16)25-23(28(20)9-3-11-29)26-21(30)17-5-2-4-15(12-17)14-24/h2,4-7,12-13,18,29H,3,8-11,14H2,1H3,(H,25,26,30).
What are the key properties of 3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide?
3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide has a molecular weight of 424.48 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 126710679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).