2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one

C20H29N3O2 — CID 89155007

IUPAC2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one
SMILESCC1(CCC2CCCCC2)N=C(N)N(CCc2ccc(O)cc2)C1=O
InChIInChI=1S/C20H29N3O2/c1-20(13-11-15-5-3-2-4-6-15)18(25)23(19(21)22-20)14-12-16-7-9-17(24)10-8-16/h7-10,15,24H,2-6,11-14H2,1H3,(H2,21,22)
InChIKeyNAAWNVVXGUBJGV-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.21
Rot. Bonds6

About 2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one

2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one (PubChem CID 89155007) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one
PubChem CID89155007
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one
SMILESCC1(CCC2CCCCC2)N=C(N)N(CCc2ccc(O)cc2)C1=O
InChIInChI=1S/C20H29N3O2/c1-20(13-11-15-5-3-2-4-6-15)18(25)23(19(21)22-20)14-12-16-7-9-17(24)10-8-16/h7-10,15,24H,2-6,11-14H2,1H3,(H2,21,22)
InChIKeyNAAWNVVXGUBJGV-UHFFFAOYSA-N
XLogP3.21
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one (CID 89155007) is 2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one is CC1(CCC2CCCCC2)N=C(N)N(CCc2ccc(O)cc2)C1=O.
What is the InChIKey of 2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one?
The InChIKey is NAAWNVVXGUBJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-20(13-11-15-5-3-2-4-6-15)18(25)23(19(21)22-20)14-12-16-7-9-17(24)10-8-16/h7-10,15,24H,2-6,11-14H2,1H3,(H2,21,22).
What are the key properties of 2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one?
2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one has a molecular weight of 343.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-cyclohexylethyl)-3-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazol-4-one is sourced from PubChem (CID 89155007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).