1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole

C19H25ClN2 — CID 57043255

IUPAC1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole
SMILESCc1cn(Cc2ccc(CC3CCCCC3)cc2Cl)c(C)n1
InChIInChI=1S/C19H25ClN2/c1-14-12-22(15(2)21-14)13-18-9-8-17(11-19(18)20)10-16-6-4-3-5-7-16/h8-9,11-12,16H,3-7,10,13H2,1-2H3
InChIKeyLCIQLAMWENGVMV-UHFFFAOYSA-N
MW316.88 g/mol
LogP5.32
Rot. Bonds4

About 1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole

1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole (PubChem CID 57043255) has the molecular formula C19H25ClN2 and a molecular weight of 316.88 g/mol. Its IUPAC name is 1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole.

Molecular Properties

Compound Name1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole
PubChem CID57043255
Molecular FormulaC19H25ClN2
Molecular Weight316.88 g/mol
Exact Mass316.17
IUPAC Name1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole
SMILESCc1cn(Cc2ccc(CC3CCCCC3)cc2Cl)c(C)n1
InChIInChI=1S/C19H25ClN2/c1-14-12-22(15(2)21-14)13-18-9-8-17(11-19(18)20)10-16-6-4-3-5-7-16/h8-9,11-12,16H,3-7,10,13H2,1-2H3
InChIKeyLCIQLAMWENGVMV-UHFFFAOYSA-N
XLogP5.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.88
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(cyclohexylmethyl)-2-methylbenzene
CID 154475769
cyclohexyl 4-[(4-bromo-2-methylimidazol-1-yl)methyl]-3-chlorobenzoate
CID 57178458
2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole
CID 57190559
1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106570212
1-[[2-chloro-4-[cyclohexylmethyl(methyl)amino]phenyl]methyl]-2-methyl-4-[(4-methylphenyl)-sulfinatocarbamoyl]imidazole
CID 174449846
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 83262000
1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 81340078
1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025309
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole?
The IUPAC name of 1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole (CID 57043255) is 1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole.
What is the SMILES notation for 1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole?
The canonical SMILES for 1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole is Cc1cn(Cc2ccc(CC3CCCCC3)cc2Cl)c(C)n1.
What is the InChIKey of 1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole?
The InChIKey is LCIQLAMWENGVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2/c1-14-12-22(15(2)21-14)13-18-9-8-17(11-19(18)20)10-16-6-4-3-5-7-16/h8-9,11-12,16H,3-7,10,13H2,1-2H3.
What are the key properties of 1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole?
1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole has a molecular weight of 316.88 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole is sourced from PubChem (CID 57043255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).