2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one

C24H27N3O3 — CID 86273369

IUPAC2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one
SMILESCOc1cccc(-c2cccc(C3(C4CC4)N=C(N)N(C4CCOCC4)C3=O)c2)c1
InChIInChI=1S/C24H27N3O3/c1-29-21-7-3-5-17(15-21)16-4-2-6-19(14-16)24(18-8-9-18)22(28)27(23(25)26-24)20-10-12-30-13-11-20/h2-7,14-15,18,20H,8-13H2,1H3,(H2,25,26)
InChIKeyHGHAKYGFTGHRPR-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.30
Rot. Bonds5

About 2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one

2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one (PubChem CID 86273369) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one
PubChem CID86273369
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one
SMILESCOc1cccc(-c2cccc(C3(C4CC4)N=C(N)N(C4CCOCC4)C3=O)c2)c1
InChIInChI=1S/C24H27N3O3/c1-29-21-7-3-5-17(15-21)16-4-2-6-19(14-16)24(18-8-9-18)22(28)27(23(25)26-24)20-10-12-30-13-11-20/h2-7,14-15,18,20H,8-13H2,1H3,(H2,25,26)
InChIKeyHGHAKYGFTGHRPR-UHFFFAOYSA-N
XLogP3.30
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one?
The IUPAC name of 2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one (CID 86273369) is 2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one?
The canonical SMILES for 2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one is COc1cccc(-c2cccc(C3(C4CC4)N=C(N)N(C4CCOCC4)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one?
The InChIKey is HGHAKYGFTGHRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-29-21-7-3-5-17(15-21)16-4-2-6-19(14-16)24(18-8-9-18)22(28)27(23(25)26-24)20-10-12-30-13-11-20/h2-7,14-15,18,20H,8-13H2,1H3,(H2,25,26).
What are the key properties of 2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one?
2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one has a molecular weight of 405.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)imidazol-4-one is sourced from PubChem (CID 86273369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).