1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one

C17H23N3O — CID 649300

IUPAC1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one
SMILESCCc1ccccc1NC1=NCC(=O)N1C1CCCCC1
InChIInChI=1S/C17H23N3O/c1-2-13-8-6-7-11-15(13)19-17-18-12-16(21)20(17)14-9-4-3-5-10-14/h6-8,11,14H,2-5,9-10,12H2,1H3,(H,18,19)
InChIKeyCIGNTVWYFSQQOZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.19
Rot. Bonds3

About 1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one

1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one (PubChem CID 649300) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one
PubChem CID649300
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one
SMILESCCc1ccccc1NC1=NCC(=O)N1C1CCCCC1
InChIInChI=1S/C17H23N3O/c1-2-13-8-6-7-11-15(13)19-17-18-12-16(21)20(17)14-9-4-3-5-10-14/h6-8,11,14H,2-5,9-10,12H2,1H3,(H,18,19)
InChIKeyCIGNTVWYFSQQOZ-UHFFFAOYSA-N
XLogP3.19
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one?
The IUPAC name of 1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one (CID 649300) is 1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one.
What is the SMILES notation for 1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one?
The canonical SMILES for 1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one is CCc1ccccc1NC1=NCC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one?
The InChIKey is CIGNTVWYFSQQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-13-8-6-7-11-15(13)19-17-18-12-16(21)20(17)14-9-4-3-5-10-14/h6-8,11,14H,2-5,9-10,12H2,1H3,(H,18,19).
What are the key properties of 1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one?
1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one has a molecular weight of 285.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-ethylanilino)-4H-imidazol-5-one is sourced from PubChem (CID 649300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).