1-(cyclohexylmethyl)-3-methyl-2H-imidazole

C11H20N2 — CID 46237237

IUPAC1-(cyclohexylmethyl)-3-methyl-2H-imidazole
SMILESCN1C=CN(CC2CCCCC2)C1
InChIInChI=1S/C11H20N2/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeySXYHKYAPQFETEX-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.24
Rot. Bonds2

About 1-(cyclohexylmethyl)-3-methyl-2H-imidazole

1-(cyclohexylmethyl)-3-methyl-2H-imidazole (PubChem CID 46237237) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-methyl-2H-imidazole
PubChem CID46237237
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-(cyclohexylmethyl)-3-methyl-2H-imidazole
SMILESCN1C=CN(CC2CCCCC2)C1
InChIInChI=1S/C11H20N2/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeySXYHKYAPQFETEX-UHFFFAOYSA-N
XLogP2.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum
CID 44206705
1-(2-cyclopentylethyl)-3-methyl-2H-imidazole
CID 59091158
1-(2-heptadecylicosyl)-3-methyl-2H-imidazole
CID 69254547
1-(4-hexadecylicosyl)-3-methyl-2H-imidazole
CID 69256270
1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole
CID 69389629
1-ethyl-3-heptyl-2-propan-2-yl-2H-imidazole
CID 69394866
1,3-bis(4-methylpentyl)-2H-imidazole
CID 71072171
1-(2-ethylhexyl)-3-methyl-2H-imidazole
CID 85966754
1-methyl-3-(4-methylpentyl)-2H-imidazole
CID 86063242
[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine
CID 87352017
[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclopropanamine
CID 87352253
1-methyl-3-(4-methylhexyl)-2H-imidazole
CID 89192629

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-methyl-2H-imidazole?
The IUPAC name of 1-(cyclohexylmethyl)-3-methyl-2H-imidazole (CID 46237237) is 1-(cyclohexylmethyl)-3-methyl-2H-imidazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-methyl-2H-imidazole?
The canonical SMILES for 1-(cyclohexylmethyl)-3-methyl-2H-imidazole is CN1C=CN(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-methyl-2H-imidazole?
The InChIKey is SXYHKYAPQFETEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-3-methyl-2H-imidazole?
1-(cyclohexylmethyl)-3-methyl-2H-imidazole has a molecular weight of 180.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-methyl-2H-imidazole is sourced from PubChem (CID 46237237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).