2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one

C24H24N4O2 — CID 143244703

IUPAC2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one
SMILESCn1cccc1CN1C(=O)C(c2cccc(-c3cccc(O)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C24H24N4O2/c1-27-12-4-8-20(27)15-28-22(30)24(18-10-11-18,26-23(28)25)19-7-2-5-16(13-19)17-6-3-9-21(29)14-17/h2-9,12-14,18,29H,10-11,15H2,1H3,(H2,25,26)
InChIKeyMADFAEMIZHMBIX-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.36
Rot. Bonds5

About 2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one

2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one (PubChem CID 143244703) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one
PubChem CID143244703
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one
SMILESCn1cccc1CN1C(=O)C(c2cccc(-c3cccc(O)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C24H24N4O2/c1-27-12-4-8-20(27)15-28-22(30)24(18-10-11-18,26-23(28)25)19-7-2-5-16(13-19)17-6-3-9-21(29)14-17/h2-9,12-14,18,29H,10-11,15H2,1H3,(H2,25,26)
InChIKeyMADFAEMIZHMBIX-UHFFFAOYSA-N
XLogP3.36
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one?
The IUPAC name of 2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one (CID 143244703) is 2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one is Cn1cccc1CN1C(=O)C(c2cccc(-c3cccc(O)c3)c2)(C2CC2)N=C1N.
What is the InChIKey of 2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one?
The InChIKey is MADFAEMIZHMBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-27-12-4-8-20(27)15-28-22(30)24(18-10-11-18,26-23(28)25)19-7-2-5-16(13-19)17-6-3-9-21(29)14-17/h2-9,12-14,18,29H,10-11,15H2,1H3,(H2,25,26).
What are the key properties of 2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one?
2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one has a molecular weight of 400.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one is sourced from PubChem (CID 143244703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).