[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone

C29H25F6N3O3 — CID 59046963

IUPAC[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(-n2c(C3CCCCN3C(=O)c3c(OC)cc(C(F)(F)F)cc3C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C29H25F6N3O3/c1-40-19-12-10-18(11-13-19)38-22-8-4-3-7-21(22)36-26(38)23-9-5-6-14-37(23)27(39)25-20(29(33,34)35)15-17(28(30,31)32)16-24(25)41-2/h3-4,7-8,10-13,15-16,23H,5-6,9,14H2,1-2H3
InChIKeyPAYGDRSANVJWRJ-UHFFFAOYSA-N
MW577.53 g/mol
LogP7.45
Rot. Bonds5

About [2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone

[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 59046963) has the molecular formula C29H25F6N3O3 and a molecular weight of 577.53 g/mol. Its IUPAC name is [2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone
PubChem CID59046963
Molecular FormulaC29H25F6N3O3
Molecular Weight577.53 g/mol
Exact Mass577.18
IUPAC Name[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(-n2c(C3CCCCN3C(=O)c3c(OC)cc(C(F)(F)F)cc3C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C29H25F6N3O3/c1-40-19-12-10-18(11-13-19)38-22-8-4-3-7-21(22)36-26(38)23-9-5-6-14-37(23)27(39)25-20(29(33,34)35)15-17(28(30,31)32)16-24(25)41-2/h3-4,7-8,10-13,15-16,23H,5-6,9,14H2,1-2H3
InChIKeyPAYGDRSANVJWRJ-UHFFFAOYSA-N
XLogP7.45
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.53
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-Fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 44522179
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3-methoxybiphenyl-4-yl)methanone
CID 44565606
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4''-methoxybiphenyl-4-yl)methanone
CID 44565808
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4''-(trifluoromethoxy)biphenyl-4-yl)methanone
CID 44565824
N-[3-(1-allyl-1H-benzimidazol-2-yl)propyl]-2-methoxybenzamide
CID 7025756
(R)-N-(1-((3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-1-oxo-3-(2-(trifluoromethyl)phenyl)propan-2-yl)-2-(trifluoromethoxy)benzamide
CID 44447273
4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-yl-5-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 155531677
US9908886, Example 157
CID 117855120
US9732075, Example 7.51
CID 118127083
US9732075, Example 5.184
CID 118127269
US9732075, Example 5.188
CID 118127339
US9732075, Example 5.236
CID 118128230

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone (CID 59046963) is [2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone is COc1ccc(-n2c(C3CCCCN3C(=O)c3c(OC)cc(C(F)(F)F)cc3C(F)(F)F)nc3ccccc32)cc1.
What is the InChIKey of [2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is PAYGDRSANVJWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F6N3O3/c1-40-19-12-10-18(11-13-19)38-22-8-4-3-7-21(22)36-26(38)23-9-5-6-14-37(23)27(39)25-20(29(33,34)35)15-17(28(30,31)32)16-24(25)41-2/h3-4,7-8,10-13,15-16,23H,5-6,9,14H2,1-2H3.
What are the key properties of [2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 577.53 g/mol, XLogP of 7.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4,6-bis(trifluoromethyl)phenyl]-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 59046963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).