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

C24H23ClN4O — CID 11711433

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one
SMILESCn1cccc1CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C24H23ClN4O/c1-28-12-4-9-21(28)15-29-22(30)24(18-10-11-18,27-23(29)26)19-7-2-5-16(13-19)17-6-3-8-20(25)14-17/h2-9,12-14,18H,10-11,15H2,1H3,(H2,26,27)
InChIKeyZFWWDOMNNYLXAK-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.31
Rot. Bonds5

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

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one (PubChem CID 11711433) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one
PubChem CID11711433
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one
SMILESCn1cccc1CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C24H23ClN4O/c1-28-12-4-9-21(28)15-29-22(30)24(18-10-11-18,27-23(29)26)19-7-2-5-16(13-19)17-6-3-8-20(25)14-17/h2-9,12-14,18H,10-11,15H2,1H3,(H2,26,27)
InChIKeyZFWWDOMNNYLXAK-UHFFFAOYSA-N
XLogP4.31
TPSA63.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one (CID 11711433) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one is Cn1cccc1CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one?
The InChIKey is ZFWWDOMNNYLXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c1-28-12-4-9-21(28)15-29-22(30)24(18-10-11-18,27-23(29)26)19-7-2-5-16(13-19)17-6-3-8-20(25)14-17/h2-9,12-14,18H,10-11,15H2,1H3,(H2,26,27).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one has a molecular weight of 418.93 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one is sourced from PubChem (CID 11711433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).