(1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone

C16H26N2O2 — CID 116749514

IUPAC(1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)C1(OCC)CCC(C)CC1
InChIInChI=1S/C16H26N2O2/c1-4-11-18-12-10-17-15(18)14(19)16(20-5-2)8-6-13(3)7-9-16/h10,12-13H,4-9,11H2,1-3H3
InChIKeyAUIKJXOOPIJJLK-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.46
Rot. Bonds6

About (1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone

(1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone (PubChem CID 116749514) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone
PubChem CID116749514
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)C1(OCC)CCC(C)CC1
InChIInChI=1S/C16H26N2O2/c1-4-11-18-12-10-17-15(18)14(19)16(20-5-2)8-6-13(3)7-9-16/h10,12-13H,4-9,11H2,1-3H3
InChIKeyAUIKJXOOPIJJLK-UHFFFAOYSA-N
XLogP3.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone?
The IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone (CID 116749514) is (1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for (1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for (1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)C1(OCC)CCC(C)CC1.
What is the InChIKey of (1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone?
The InChIKey is AUIKJXOOPIJJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-11-18-12-10-17-15(18)14(19)16(20-5-2)8-6-13(3)7-9-16/h10,12-13H,4-9,11H2,1-3H3.
What are the key properties of (1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone?
(1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone has a molecular weight of 278.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 116749514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).