1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

C29H30FN3O3 — CID 26340007

IUPAC1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(n3c(Cc4ccccc4OC)nc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C29H30FN3O3/c1-35-24-10-7-20(8-11-24)17-29(34)32-15-13-23(14-16-32)33-26-12-9-22(30)19-25(26)31-28(33)18-21-5-3-4-6-27(21)36-2/h3-12,19,23H,13-18H2,1-2H3
InChIKeyRPBHLJMLSXSKJE-UHFFFAOYSA-N
MW487.58 g/mol
LogP5.19
Rot. Bonds7

About 1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 26340007) has the molecular formula C29H30FN3O3 and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID26340007
Molecular FormulaC29H30FN3O3
Molecular Weight487.58 g/mol
Exact Mass487.23
IUPAC Name1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(n3c(Cc4ccccc4OC)nc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C29H30FN3O3/c1-35-24-10-7-20(8-11-24)17-29(34)32-15-13-23(14-16-32)33-26-12-9-22(30)19-25(26)31-28(33)18-21-5-3-4-6-27(21)36-2/h3-12,19,23H,13-18H2,1-2H3
InChIKeyRPBHLJMLSXSKJE-UHFFFAOYSA-N
XLogP5.19
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone with MolForge

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Related Compounds

1-[4-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 42478959
4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide
CID 42431242
1-[4-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 42170487
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
(2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone
CID 42275986
1-[4-[2-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-1-yl]piperidin-1-yl]pent-4-en-1-one
CID 42431117
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole
CID 26345971
1-[4-[2-(1,3-benzodioxol-5-yl)-5-fluorobenzimidazol-1-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 42272931
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 9452417
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline
CID 60785645
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113079882

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 26340007) is 1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCC(n3c(Cc4ccccc4OC)nc4cc(F)ccc43)CC2)cc1.
What is the InChIKey of 1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is RPBHLJMLSXSKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O3/c1-35-24-10-7-20(8-11-24)17-29(34)32-15-13-23(14-16-32)33-26-12-9-22(30)19-25(26)31-28(33)18-21-5-3-4-6-27(21)36-2/h3-12,19,23H,13-18H2,1-2H3.
What are the key properties of 1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 487.58 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 26340007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).