2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole

C28H30FN3O — CID 70492080

IUPAC2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole
SMILESCOc1cccc2c1nc(CC1CCN(Cc3ccccc3)CC1)n2Cc1ccc(F)cc1
InChIInChI=1S/C28H30FN3O/c1-33-26-9-5-8-25-28(26)30-27(32(25)20-23-10-12-24(29)13-11-23)18-21-14-16-31(17-15-21)19-22-6-3-2-4-7-22/h2-13,21H,14-20H2,1H3
InChIKeyHUUXBZKWKRFXCX-UHFFFAOYSA-N
MW443.57 g/mol
LogP5.69
Rot. Bonds7

About 2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole

2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole (PubChem CID 70492080) has the molecular formula C28H30FN3O and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole
PubChem CID70492080
Molecular FormulaC28H30FN3O
Molecular Weight443.57 g/mol
Exact Mass443.24
IUPAC Name2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole
SMILESCOc1cccc2c1nc(CC1CCN(Cc3ccccc3)CC1)n2Cc1ccc(F)cc1
InChIInChI=1S/C28H30FN3O/c1-33-26-9-5-8-25-28(26)30-27(32(25)20-23-10-12-24(29)13-11-23)18-21-14-16-31(17-15-21)19-22-6-3-2-4-7-22/h2-13,21H,14-20H2,1H3
InChIKeyHUUXBZKWKRFXCX-UHFFFAOYSA-N
XLogP5.69
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

but-2-enedioic acid;bis(1-[(4-fluorophenyl)methyl]-2-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]benzimidazol-5-ol)
CID 173396798
ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate
CID 14013012
4-[2-[4-[[5-chloro-1-[(4-fluorophenyl)methyl]-6-methoxybenzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]phenol
CID 14013147
1-[(4-fluorophenyl)methyl]-2-[(1-prop-2-enylpiperidin-4-yl)methyl]benzimidazole;oxalic acid
CID 162331537
bis(4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole);oxaldehyde
CID 173410501
bis(1-[(4-fluorophenyl)methyl]-5,6-dimethoxy-2-(piperidin-4-ylmethyl)benzimidazole);oxalic acid
CID 70391591
1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
2-[[1-[2-(1-ethyltetrazol-5-yl)sulfanylethyl]piperidin-4-yl]methyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 14013173
N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine
CID 14013278
2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 14518026
3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol
CID 14013120

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole (CID 70492080) is 2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole is COc1cccc2c1nc(CC1CCN(Cc3ccccc3)CC1)n2Cc1ccc(F)cc1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole?
The InChIKey is HUUXBZKWKRFXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O/c1-33-26-9-5-8-25-28(26)30-27(32(25)20-23-10-12-24(29)13-11-23)18-21-14-16-31(17-15-21)19-22-6-3-2-4-7-22/h2-13,21H,14-20H2,1H3.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole?
2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole has a molecular weight of 443.57 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole is sourced from PubChem (CID 70492080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).