2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde

C11H16N2O — CID 83637053

IUPAC2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde
SMILESCc1[nH]c(C2CCCCC2)nc1C=O
InChIInChI=1S/C11H16N2O/c1-8-10(7-14)13-11(12-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyMKPVOCQZXTUMCZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.58
Rot. Bonds2

About 2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde

2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde (PubChem CID 83637053) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde
PubChem CID83637053
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde
SMILESCc1[nH]c(C2CCCCC2)nc1C=O
InChIInChI=1S/C11H16N2O/c1-8-10(7-14)13-11(12-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyMKPVOCQZXTUMCZ-UHFFFAOYSA-N
XLogP2.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde
CID 115015606
4-(azetidin-3-yl)-2-cyclobutyl-5-methyl-1H-imidazole
CID 105445538
methyl 2-cyclopentyl-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate
CID 24702254
5-methyl-2-(2-methyloxan-2-yl)-1H-imidazole-4-carbaldehyde
CID 115025833
4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde
CID 155354592
2-cycloheptyl-4,6-dimethyl-1H-benzimidazole
CID 82946449
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione
CID 106475707
2-cyclopropyl-4-ethyl-5-methyl-1H-imidazole
CID 123293833
8-cyclohexyl-6-methyl-7H-purine
CID 20698028
3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
CID 43650978
5-cyclohexyl-3-(2,4-dimethylpentan-3-yl)-1H-1,2,4-triazole
CID 114282263

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde?
The IUPAC name of 2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde (CID 83637053) is 2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde.
What is the SMILES notation for 2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde?
The canonical SMILES for 2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde is Cc1[nH]c(C2CCCCC2)nc1C=O.
What is the InChIKey of 2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde?
The InChIKey is MKPVOCQZXTUMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-10(7-14)13-11(12-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde?
2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde has a molecular weight of 192.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde is sourced from PubChem (CID 83637053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).