[3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

C32H34FN3O3 — CID 141102829

IUPAC[3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cccc(COc2ccc(-c3nc4ccccc4n3C3CCCCC3)c(F)c2)c1)N1CCC(O)CC1
InChIInChI=1S/C32H34FN3O3/c33-28-20-26(39-21-22-7-6-8-23(19-22)32(38)35-17-15-25(37)16-18-35)13-14-27(28)31-34-29-11-4-5-12-30(29)36(31)24-9-2-1-3-10-24/h4-8,11-14,19-20,24-25,37H,1-3,9-10,15-18,21H2
InChIKeyCFBJMEIRXXMZEQ-UHFFFAOYSA-N
MW527.64 g/mol
LogP6.52
Rot. Bonds6

About [3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

[3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 141102829) has the molecular formula C32H34FN3O3 and a molecular weight of 527.64 g/mol. Its IUPAC name is [3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID141102829
Molecular FormulaC32H34FN3O3
Molecular Weight527.64 g/mol
Exact Mass527.26
IUPAC Name[3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cccc(COc2ccc(-c3nc4ccccc4n3C3CCCCC3)c(F)c2)c1)N1CCC(O)CC1
InChIInChI=1S/C32H34FN3O3/c33-28-20-26(39-21-22-7-6-8-23(19-22)32(38)35-17-15-25(37)16-18-35)13-14-27(28)31-34-29-11-4-5-12-30(29)36(31)24-9-2-1-3-10-24/h4-8,11-14,19-20,24-25,37H,1-3,9-10,15-18,21H2
InChIKeyCFBJMEIRXXMZEQ-UHFFFAOYSA-N
XLogP6.52
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.64
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone with MolForge

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Related Compounds

Mchb-1
CID 44561533
2-[4-(Benzyloxy)phenyl]-1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
CID 491098
2-[4-[[2-(4-Chlorophenyl)-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 513150
2-[4-[Bis(4-fluorophenyl)methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10120254
1-Cyclohexyl-2-[4-(5-phenylpentoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10140778
2-[4-(Biphenyl-2-ylmethoxy)-phenyl]-1-cyclohexyl-1H-benzoimidazole-5-carboxylic acid
CID 10141859
2-(4-Benzhydryloxyphenyl)-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10185481
2-[4-[Bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10209030
1-Cyclohexyl-2-[4-(2,2-diphenylethoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10229600
2-[4-(2-Biphenyl-2-yl-ethoxy)-phenyl]-1-cyclohexyl-1H-benzoimidazole-5-carboxylic acid
CID 10229601
2-[4-[Bis(3-fluorophenyl)methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10230544
1-Cyclohexyl-2-[4-(3-phenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10275979

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 141102829) is [3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cccc(COc2ccc(-c3nc4ccccc4n3C3CCCCC3)c(F)c2)c1)N1CCC(O)CC1.
What is the InChIKey of [3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is CFBJMEIRXXMZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN3O3/c33-28-20-26(39-21-22-7-6-8-23(19-22)32(38)35-17-15-25(37)16-18-35)13-14-27(28)31-34-29-11-4-5-12-30(29)36(31)24-9-2-1-3-10-24/h4-8,11-14,19-20,24-25,37H,1-3,9-10,15-18,21H2.
What are the key properties of [3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
[3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 527.64 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 141102829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).