1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol

C16H28N2O — CID 107429783

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCCn1ccnc1CC1(O)CCCC(CC(C)C)C1
InChIInChI=1S/C16H28N2O/c1-4-18-9-8-17-15(18)12-16(19)7-5-6-14(11-16)10-13(2)3/h8-9,13-14,19H,4-7,10-12H2,1-3H3
InChIKeyJRHAHIHBSCBDNF-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.41
Rot. Bonds5

About 1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol

1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429783) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429783
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCCn1ccnc1CC1(O)CCCC(CC(C)C)C1
InChIInChI=1S/C16H28N2O/c1-4-18-9-8-17-15(18)12-16(19)7-5-6-14(11-16)10-13(2)3/h8-9,13-14,19H,4-7,10-12H2,1-3H3
InChIKeyJRHAHIHBSCBDNF-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79744950
2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol
CID 79744060
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429583
1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol
CID 79744305
1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429751
3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol
CID 79744249
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429553
1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429768
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429492
1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 79744545

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429783) is 1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol is CCn1ccnc1CC1(O)CCCC(CC(C)C)C1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is JRHAHIHBSCBDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-18-9-8-17-15(18)12-16(19)7-5-6-14(11-16)10-13(2)3/h8-9,13-14,19H,4-7,10-12H2,1-3H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).