2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one

C14H24N2O — CID 106953192

IUPAC2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCCC1CCC(C2=NC(C(C)C)C(=O)N2)CC1
InChIInChI=1S/C14H24N2O/c1-4-10-5-7-11(8-6-10)13-15-12(9(2)3)14(17)16-13/h9-12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyHHMFTMQJRSBSLY-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.76
Rot. Bonds3

About 2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one

2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 106953192) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
PubChem CID106953192
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCCC1CCC(C2=NC(C(C)C)C(=O)N2)CC1
InChIInChI=1S/C14H24N2O/c1-4-10-5-7-11(8-6-10)13-15-12(9(2)3)14(17)16-13/h9-12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyHHMFTMQJRSBSLY-UHFFFAOYSA-N
XLogP2.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (CID 106953192) is 2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is CCC1CCC(C2=NC(C(C)C)C(=O)N2)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is HHMFTMQJRSBSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-10-5-7-11(8-6-10)13-15-12(9(2)3)14(17)16-13/h9-12H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 236.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).