4-bromo-1-(3-methylcyclohexyl)imidazole

C10H15BrN2 — CID 165446237

IUPAC4-bromo-1-(3-methylcyclohexyl)imidazole
SMILESCC1CCCC(n2cnc(Br)c2)C1
InChIInChI=1S/C10H15BrN2/c1-8-3-2-4-9(5-8)13-6-10(11)12-7-13/h6-9H,2-5H2,1H3
InChIKeySGTDUVGIVDDSAM-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.40
Rot. Bonds1

About 4-bromo-1-(3-methylcyclohexyl)imidazole

4-bromo-1-(3-methylcyclohexyl)imidazole (PubChem CID 165446237) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 4-bromo-1-(3-methylcyclohexyl)imidazole.

Molecular Properties

Compound Name4-bromo-1-(3-methylcyclohexyl)imidazole
PubChem CID165446237
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name4-bromo-1-(3-methylcyclohexyl)imidazole
SMILESCC1CCCC(n2cnc(Br)c2)C1
InChIInChI=1S/C10H15BrN2/c1-8-3-2-4-9(5-8)13-6-10(11)12-7-13/h6-9H,2-5H2,1H3
InChIKeySGTDUVGIVDDSAM-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 44827945
1-cyclobutyl-4-iodoimidazole
CID 135150752
1-cyclobutyl-4-(trifluoromethyl)imidazole
CID 176717540
2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine
CID 166956608
1-cyclohexyl-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine
CID 106561731
2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146727
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine
CID 79176874
4-(1-chloroethyl)-1-(3-methylcyclohexyl)triazole
CID 81449380
ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione
CID 81336195
(1R)-1,3-dimethylcyclohexane
CID 12594306
1-(3-methylcyclohexyl)pyrazole-4-sulfonamide
CID 81340370

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-methylcyclohexyl)imidazole?
The IUPAC name of 4-bromo-1-(3-methylcyclohexyl)imidazole (CID 165446237) is 4-bromo-1-(3-methylcyclohexyl)imidazole.
What is the SMILES notation for 4-bromo-1-(3-methylcyclohexyl)imidazole?
The canonical SMILES for 4-bromo-1-(3-methylcyclohexyl)imidazole is CC1CCCC(n2cnc(Br)c2)C1.
What is the InChIKey of 4-bromo-1-(3-methylcyclohexyl)imidazole?
The InChIKey is SGTDUVGIVDDSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-8-3-2-4-9(5-8)13-6-10(11)12-7-13/h6-9H,2-5H2,1H3.
What are the key properties of 4-bromo-1-(3-methylcyclohexyl)imidazole?
4-bromo-1-(3-methylcyclohexyl)imidazole has a molecular weight of 243.15 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3-methylcyclohexyl)imidazole is sourced from PubChem (CID 165446237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).