6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole

C17H21BrF2N2O — CID 126572494

IUPAC6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole
SMILESCOC(C)Cn1c(C2CCC(F)(F)CC2)nc2ccc(Br)cc21
InChIInChI=1S/C17H21BrF2N2O/c1-11(23-2)10-22-15-9-13(18)3-4-14(15)21-16(22)12-5-7-17(19,20)8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyRILJFCAEJJPWSO-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.13
Rot. Bonds4

About 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole

6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole (PubChem CID 126572494) has the molecular formula C17H21BrF2N2O and a molecular weight of 387.27 g/mol. Its IUPAC name is 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole
PubChem CID126572494
Molecular FormulaC17H21BrF2N2O
Molecular Weight387.27 g/mol
Exact Mass386.08
IUPAC Name6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole
SMILESCOC(C)Cn1c(C2CCC(F)(F)CC2)nc2ccc(Br)cc21
InChIInChI=1S/C17H21BrF2N2O/c1-11(23-2)10-22-15-9-13(18)3-4-14(15)21-16(22)12-5-7-17(19,20)8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyRILJFCAEJJPWSO-UHFFFAOYSA-N
XLogP5.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole
CID 126582755
5-[2-(4,4-difluorocyclohexyl)-3-[(2S)-2-methoxypropyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane
CID 158770711
5-[2-cyclohexyl-3-(2-methoxypropyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 157220948
6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole
CID 126572581
2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712275
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
6-bromo-2-(1-chloroethyl)-1-(thiolan-2-ylmethyl)benzimidazole
CID 80585799
1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol
CID 46308315
6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479145
6-bromo-2-(chloromethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 65346146
5-[2-(3,3-difluorocyclobutyl)-3-(2-ethoxypropyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 135306899
2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid
CID 82773918

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole?
The IUPAC name of 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole (CID 126572494) is 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole is COC(C)Cn1c(C2CCC(F)(F)CC2)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole?
The InChIKey is RILJFCAEJJPWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrF2N2O/c1-11(23-2)10-22-15-9-13(18)3-4-14(15)21-16(22)12-5-7-17(19,20)8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3.
What are the key properties of 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole?
6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole has a molecular weight of 387.27 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole is sourced from PubChem (CID 126572494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).