1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea

C24H23ClN6O2 — CID 59387524

IUPAC1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea
SMILESCN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CNC(=O)Nc3cccnc3)c2)N=C1N
InChIInChI=1S/C24H23ClN6O2/c1-24(21(32)31(2)22(26)30-24)17-6-3-5-15(11-17)20-12-18(25)9-8-16(20)13-28-23(33)29-19-7-4-10-27-14-19/h3-12,14H,13H2,1-2H3,(H2,26,30)(H2,28,29,33)
InChIKeyJIMKBIAWSRZMRP-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.73
Rot. Bonds5

About 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea

1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea (PubChem CID 59387524) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea
PubChem CID59387524
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea
SMILESCN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CNC(=O)Nc3cccnc3)c2)N=C1N
InChIInChI=1S/C24H23ClN6O2/c1-24(21(32)31(2)22(26)30-24)17-6-3-5-15(11-17)20-12-18(25)9-8-16(20)13-28-23(33)29-19-7-4-10-27-14-19/h3-12,14H,13H2,1-2H3,(H2,26,30)(H2,28,29,33)
InChIKeyJIMKBIAWSRZMRP-UHFFFAOYSA-N
XLogP3.73
TPSA112.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea (CID 59387524) is 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea is CN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CNC(=O)Nc3cccnc3)c2)N=C1N.
What is the InChIKey of 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea?
The InChIKey is JIMKBIAWSRZMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-24(21(32)31(2)22(26)30-24)17-6-3-5-15(11-17)20-12-18(25)9-8-16(20)13-28-23(33)29-19-7-4-10-27-14-19/h3-12,14H,13H2,1-2H3,(H2,26,30)(H2,28,29,33).
What are the key properties of 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea?
1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea has a molecular weight of 462.94 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 59387524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).