[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone

C32H34FN3O4 — CID 155605925

IUPAC[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCCO2)CC1
InChIInChI=1S/C32H34FN3O4/c33-26-6-3-5-22(17-26)21-40-30-11-10-24(18-25(30)20-37)32(38)35-14-12-23(13-15-35)31-34-28-8-1-2-9-29(28)36(31)19-27-7-4-16-39-27/h1-3,5-6,8-11,17-18,23,27,37H,4,7,12-16,19-21H2
InChIKeyMVWAZVPCARIKRD-UHFFFAOYSA-N
MW543.64 g/mol
LogP5.45
Rot. Bonds8

About [4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone

[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 155605925) has the molecular formula C32H34FN3O4 and a molecular weight of 543.64 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
PubChem CID155605925
Molecular FormulaC32H34FN3O4
Molecular Weight543.64 g/mol
Exact Mass543.25
IUPAC Name[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCCO2)CC1
InChIInChI=1S/C32H34FN3O4/c33-26-6-3-5-22(17-26)21-40-30-11-10-24(18-25(30)20-37)32(38)35-14-12-23(13-15-35)31-34-28-8-1-2-9-29(28)36(31)19-27-7-4-16-39-27/h1-3,5-6,8-11,17-18,23,27,37H,4,7,12-16,19-21H2
InChIKeyMVWAZVPCARIKRD-UHFFFAOYSA-N
XLogP5.45
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.64
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone 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

1-Cyclohexyl-2-[2-fluoro-4-[[2-(4-hydroxy-1-piperidyl)-5-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 11169562
1-Cyclohexyl-2-[2-fluoro-4-[[2-(3-oxomorpholin-4-yl)-5-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 11399417
1-Cyclohexyl-2-[2-fluoro-4-[[2-morpholino-5-(2-oxo-1-piperidyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 16729588
2-[4-[[5-[Acetyl(isopropyl)amino]-2-morpholino-phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 16729590
1-Cyclohexyl-2-[2-fluoro-4-[[5-(isopropylcarbamoyl)-2-morpholino-phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 16729592
(S)-2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 44561006
2-[5-Fluoro-2-[[2-methoxy-5-(morpholine-4-carbonyl)phenyl]methylsulfanyl]benzimidazol-1-yl]acetic acid
CID 69319508
6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-8-(morpholinomethyl)-4H-chromen-4-one
CID 1130514
6-ethyl-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4H-chromen-4-one
CID 1278654
[4-(5-Fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 1469455
2-[4-[[5-[Acetyl(methyl)amino]-2-morpholino-phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 11192704
1-Cyclohexyl-2-[2-fluoro-4-[[5-(2-oxopyrrolidin-1-yl)-2-(1-piperidyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 11215634

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone (CID 155605925) is [4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCCO2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is MVWAZVPCARIKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN3O4/c33-26-6-3-5-22(17-26)21-40-30-11-10-24(18-25(30)20-37)32(38)35-14-12-23(13-15-35)31-34-28-8-1-2-9-29(28)36(31)19-27-7-4-16-39-27/h1-3,5-6,8-11,17-18,23,27,37H,4,7,12-16,19-21H2.
What are the key properties of [4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 543.64 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 155605925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).