2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one

C31H34N4O3 — CID 89015410

About 2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one

2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one (PubChem CID 89015410) has the molecular formula C31H34N4O3 and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one.

Molecular Properties

• Compound Name: 2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one
• PubChem CID: 89015410
• Molecular Formula: C31H34N4O3
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.26
• IUPAC Name: 2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one
• SMILES: COC[C@H]1CCCN1C(=O)c1cccc(CN2C(=O)C(C)(c3cccc(-c4cccc(C)c4)c3)N=C2N)c1
• InChI: InChI=1S/C31H34N4O3/c1-21-8-4-10-23(16-21)24-11-6-13-26(18-24)31(2)29(37)35(30(32)33-31)19-22-9-5-12-25(17-22)28(36)34-15-7-14-27(34)20-38-3/h4-6,8-13,16-18,27H,7,14-15,19-20H2,1-3H3,(H2,32,33)/t27-,31?/m1/s1
• InChIKey: FWUOYHIZBUFSBW-RCEYKGAOSA-N
• XLogP: 4.49
• TPSA: 88.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one?

The IUPAC name of 2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one (CID 89015410) is 2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one.

What is the SMILES notation for 2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one?

The canonical SMILES for 2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one is COC[C@H]1CCCN1C(=O)c1cccc(CN2C(=O)C(C)(c3cccc(-c4cccc(C)c4)c3)N=C2N)c1.

What is the InChIKey of 2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one?

The InChIKey is FWUOYHIZBUFSBW-RCEYKGAOSA-N. The full InChI is InChI=1S/C31H34N4O3/c1-21-8-4-10-23(16-21)24-11-6-13-26(18-24)31(2)29(37)35(30(32)33-31)19-22-9-5-12-25(17-22)28(36)34-15-7-14-27(34)20-38-3/h4-6,8-13,16-18,27H,7,14-15,19-20H2,1-3H3,(H2,32,33)/t27-,31?/m1/s1.

What are the key properties of 2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one?

2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one has a molecular weight of 510.64 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one is sourced from PubChem (CID 89015410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).