2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole

C24H26Cl2F3N3 — CID 161441917

IUPAC2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole
SMILESCc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(CN3CCC(C)CC3)c1Cl)n2C
InChIInChI=1S/C24H26Cl2F3N3/c1-14-6-8-32(9-7-14)13-16-4-5-19(25)18(22(16)26)12-21-30-23-15(2)10-17(24(27,28)29)11-20(23)31(21)3/h4-5,10-11,14H,6-9,12-13H2,1-3H3
InChIKeyLDFDNIWXWSSGNY-UHFFFAOYSA-N
MW484.39 g/mol
LogP7.03
Rot. Bonds4

About 2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole

2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole (PubChem CID 161441917) has the molecular formula C24H26Cl2F3N3 and a molecular weight of 484.39 g/mol. Its IUPAC name is 2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole
PubChem CID161441917
Molecular FormulaC24H26Cl2F3N3
Molecular Weight484.39 g/mol
Exact Mass483.15
IUPAC Name2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole
SMILESCc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(CN3CCC(C)CC3)c1Cl)n2C
InChIInChI=1S/C24H26Cl2F3N3/c1-14-6-8-32(9-7-14)13-16-4-5-19(25)18(22(16)26)12-21-30-23-15(2)10-17(24(27,28)29)11-20(23)31(21)3/h4-5,10-11,14H,6-9,12-13H2,1-3H3
InChIKeyLDFDNIWXWSSGNY-UHFFFAOYSA-N
XLogP7.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.39
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2,6-dichloro-3-(methylsulfanyloxymethyl)phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole
CID 145206284
[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(4-propylpiperazin-1-yl)methanone
CID 160745487
2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]piperazine-1-carbaldehyde
CID 156678544
[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylpyrrolidin-1-yl)methanone
CID 160868988
[[2-[(2,6-dichloro-3-methylphenyl)methyl]-3,7-dimethylbenzimidazol-5-yl]-difluoromethyl]phosphane;3-(2-hydroxyethyl)azetidine-1-carbaldehyde
CID 145206460
2,4-dichloro-3-[[6-(1,1-difluoroprop-2-enyl)-1,4-dimethylbenzimidazol-2-yl]methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 145206642
3-[4-[[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]methyl]piperazin-1-yl]cyclobutane-1-carboxylic acid
CID 172755238
2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid
CID 145203620
ethyl 2-[[2,6-dichloro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]-1-methyl-6-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate
CID 158801987
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
CID 159126625
2-[[2,6-dichloro-3-[hydroxy(methoxy)methyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
CID 163881131

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole (CID 161441917) is 2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole is Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(CN3CCC(C)CC3)c1Cl)n2C.
What is the InChIKey of 2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole?
The InChIKey is LDFDNIWXWSSGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2F3N3/c1-14-6-8-32(9-7-14)13-16-4-5-19(25)18(22(16)26)12-21-30-23-15(2)10-17(24(27,28)29)11-20(23)31(21)3/h4-5,10-11,14H,6-9,12-13H2,1-3H3.
What are the key properties of 2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole?
2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole has a molecular weight of 484.39 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 161441917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).