2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one

C20H27N3O2 — CID 70335552

IUPAC2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one
SMILESC=Cc1cccc(OCC2(CC3CCCCC3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C20H27N3O2/c1-3-15-10-7-11-17(12-15)25-14-20(13-16-8-5-4-6-9-16)18(24)23(2)19(21)22-20/h3,7,10-12,16H,1,4-6,8-9,13-14H2,2H3,(H2,21,22)
InChIKeyQDYSYEVHTAFVPZ-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.20
Rot. Bonds6

About 2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one

2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one (PubChem CID 70335552) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one
PubChem CID70335552
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one
SMILESC=Cc1cccc(OCC2(CC3CCCCC3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C20H27N3O2/c1-3-15-10-7-11-17(12-15)25-14-20(13-16-8-5-4-6-9-16)18(24)23(2)19(21)22-20/h3,7,10-12,16H,1,4-6,8-9,13-14H2,2H3,(H2,21,22)
InChIKeyQDYSYEVHTAFVPZ-UHFFFAOYSA-N
XLogP3.20
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
CID 16040323
(2e,5r)-2-Imino-5-(3'-Methoxybiphenyl-3-Yl)-3-Methyl-5-Phenylimidazolidin-4-One
CID 70681036
2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11537623
2-Amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 11581511
2-Amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 25063486
2-Amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one
CID 44530159
2-Amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one
CID 59262421
Calcaridine A
CID 25138424
2-amino-4-(3-methoxyphenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 45488109
2-Amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one
CID 86273369
(S)-2-amino-4-(4-(2-fluoroethoxy)phenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 52942291
(5S)-2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 70693646

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one (CID 70335552) is 2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one is C=Cc1cccc(OCC2(CC3CCCCC3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one?
The InChIKey is QDYSYEVHTAFVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-15-10-7-11-17(12-15)25-14-20(13-16-8-5-4-6-9-16)18(24)23(2)19(21)22-20/h3,7,10-12,16H,1,4-6,8-9,13-14H2,2H3,(H2,21,22).
What are the key properties of 2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one?
2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one has a molecular weight of 341.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one is sourced from PubChem (CID 70335552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).