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

C32H34FN3O4 — CID 135290406

IUPAC[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCCO3)CC2)ccc1OCc1cccc(F)c1
InChIInChI=1S/C32H34FN3O4/c1-38-30-19-24(11-12-29(30)40-21-22-6-4-7-25(33)18-22)32(37)35-15-13-23(14-16-35)31-34-27-9-2-3-10-28(27)36(31)20-26-8-5-17-39-26/h2-4,6-7,9-12,18-19,23,26H,5,8,13-17,20-21H2,1H3
InChIKeyANJLFINKNZXOTC-UHFFFAOYSA-N
MW543.64 g/mol
LogP5.96
Rot. Bonds8

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

[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 135290406) has the molecular formula C32H34FN3O4 and a molecular weight of 543.64 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
PubChem CID135290406
Molecular FormulaC32H34FN3O4
Molecular Weight543.64 g/mol
Exact Mass543.25
IUPAC Name[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCCO3)CC2)ccc1OCc1cccc(F)c1
InChIInChI=1S/C32H34FN3O4/c1-38-30-19-24(11-12-29(30)40-21-22-6-4-7-25(33)18-22)32(37)35-15-13-23(14-16-35)31-34-27-9-2-3-10-28(27)36(31)20-26-8-5-17-39-26/h2-4,6-7,9-12,18-19,23,26H,5,8,13-17,20-21H2,1H3
InChIKeyANJLFINKNZXOTC-UHFFFAOYSA-N
XLogP5.96
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.64
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]methanone
CID 159919309
ethane;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-methyl-4-[(Z)-1-(4-methylphenyl)prop-1-enyl]phenyl]methanone
CID 177142709
(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45238113
[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-methyl-4-[(1Z)-4-methyl-1-(4-methylphenyl)penta-1,4-dienyl]phenyl]methanone
CID 177142675
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55338031
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone
CID 146791096
[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-[4-(3-fluorobenzenecarboximidoyl)-3-methylphenyl]methanone;prop-1-yne
CID 177143315
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanone
CID 135290220
(4-cyclopentyloxy-3-methoxyphenyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55979698
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 9295714
[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-[4-(3-fluorobenzenecarboximidoyl)-3-methylphenyl]methanone;2-methylprop-2-enylcyclopropane
CID 177142480
[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-[4-(3-fluorobenzenecarboximidoyl)-3-prop-1-ynylphenyl]methanone
CID 177142622

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone (CID 135290406) is [4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone is COc1cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCCO3)CC2)ccc1OCc1cccc(F)c1.
What is the InChIKey of [4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is ANJLFINKNZXOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN3O4/c1-38-30-19-24(11-12-29(30)40-21-22-6-4-7-25(33)18-22)32(37)35-15-13-23(14-16-35)31-34-27-9-2-3-10-28(27)36(31)20-26-8-5-17-39-26/h2-4,6-7,9-12,18-19,23,26H,5,8,13-17,20-21H2,1H3.
What are the key properties of [4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 543.64 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 135290406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).