1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea

C25H23Cl2N5O2 — CID 22185489

IUPAC1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea
SMILESCC(C)(CNC(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C25H23Cl2N5O2/c1-25(2,14-29-24(34)30-18-6-4-17(26)5-7-18)23-31-21(15-9-11-28-12-10-15)22(32-23)16-3-8-19(27)20(33)13-16/h3-13,33H,14H2,1-2H3,(H,31,32)(H2,29,30,34)
InChIKeyPQMASEVATAUGTO-UHFFFAOYSA-N
MW496.40 g/mol
LogP6.25
Rot. Bonds6

About 1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea

1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea (PubChem CID 22185489) has the molecular formula C25H23Cl2N5O2 and a molecular weight of 496.40 g/mol. Its IUPAC name is 1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea
PubChem CID22185489
Molecular FormulaC25H23Cl2N5O2
Molecular Weight496.40 g/mol
Exact Mass495.12
IUPAC Name1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea
SMILESCC(C)(CNC(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C25H23Cl2N5O2/c1-25(2,14-29-24(34)30-18-6-4-17(26)5-7-18)23-31-21(15-9-11-28-12-10-15)22(32-23)16-3-8-19(27)20(33)13-16/h3-13,33H,14H2,1-2H3,(H,31,32)(H2,29,30,34)
InChIKeyPQMASEVATAUGTO-UHFFFAOYSA-N
XLogP6.25
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.40
LogP ≤ 56.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea 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-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea (CID 22185489) is 1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea is CC(C)(CNC(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea?
The InChIKey is PQMASEVATAUGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O2/c1-25(2,14-29-24(34)30-18-6-4-17(26)5-7-18)23-31-21(15-9-11-28-12-10-15)22(32-23)16-3-8-19(27)20(33)13-16/h3-13,33H,14H2,1-2H3,(H,31,32)(H2,29,30,34).
What are the key properties of 1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea?
1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea has a molecular weight of 496.40 g/mol, XLogP of 6.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 22185489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).