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

C16H19BrF2N2O — CID 126582755

IUPAC6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(C2CCC(F)(F)CC2)nc2ccc(Br)cc21
InChIInChI=1S/C16H19BrF2N2O/c1-22-9-8-21-14-10-12(17)2-3-13(14)20-15(21)11-4-6-16(18,19)7-5-11/h2-3,10-11H,4-9H2,1H3
InChIKeyMNUPOFWFIAWADO-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.74
Rot. Bonds4

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

6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole (PubChem CID 126582755) has the molecular formula C16H19BrF2N2O and a molecular weight of 373.24 g/mol. Its IUPAC name is 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole
PubChem CID126582755
Molecular FormulaC16H19BrF2N2O
Molecular Weight373.24 g/mol
Exact Mass372.06
IUPAC Name6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(C2CCC(F)(F)CC2)nc2ccc(Br)cc21
InChIInChI=1S/C16H19BrF2N2O/c1-22-9-8-21-14-10-12(17)2-3-13(14)20-15(21)11-4-6-16(18,19)7-5-11/h2-3,10-11H,4-9H2,1H3
InChIKeyMNUPOFWFIAWADO-UHFFFAOYSA-N
XLogP4.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole
CID 126572494
6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole
CID 126572581
6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole
CID 46309125
6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole
CID 126582711
2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712275
5-[2-(4,4-difluorocyclohexyl)-3-[(2S)-2-methoxypropyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane
CID 158770711
(4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 92717240
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072
6-bromo-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)ethyl]benzimidazole;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 159329509
2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine
CID 84815301
6-bromo-2-cyclopropyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole;tert-butyl N-[5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate
CID 158713016
6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole
CID 46308708

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole?
The IUPAC name of 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole (CID 126582755) is 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole is COCCn1c(C2CCC(F)(F)CC2)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole?
The InChIKey is MNUPOFWFIAWADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrF2N2O/c1-22-9-8-21-14-10-12(17)2-3-13(14)20-15(21)11-4-6-16(18,19)7-5-11/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole?
6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole has a molecular weight of 373.24 g/mol, XLogP of 4.74, 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-methoxyethyl)benzimidazole is sourced from PubChem (CID 126582755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).