(3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol

C15H26N2O — CID 66130637

IUPAC(3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)C1CCCC(CC)C1
InChIInChI=1S/C15H26N2O/c1-3-8-17-11-16-10-14(17)15(18)13-7-5-6-12(4-2)9-13/h10-13,15,18H,3-9H2,1-2H3
InChIKeyNSPKTDDRLNSLHO-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.54
Rot. Bonds5

About (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol

(3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol (PubChem CID 66130637) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol
PubChem CID66130637
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)C1CCCC(CC)C1
InChIInChI=1S/C15H26N2O/c1-3-8-17-11-16-10-14(17)15(18)13-7-5-6-12(4-2)9-13/h10-13,15,18H,3-9H2,1-2H3
InChIKeyNSPKTDDRLNSLHO-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol?
The IUPAC name of (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol (CID 66130637) is (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol.
What is the SMILES notation for (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol?
The canonical SMILES for (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol is CCCn1cncc1C(O)C1CCCC(CC)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol?
The InChIKey is NSPKTDDRLNSLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-8-17-11-16-10-14(17)15(18)13-7-5-6-12(4-2)9-13/h10-13,15,18H,3-9H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol?
(3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol has a molecular weight of 250.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol is sourced from PubChem (CID 66130637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).