1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea

C24H19ClF3N5O3S — CID 90924951

IUPAC1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea
SMILESCc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1ccnc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H19ClF3N5O3S/c1-14-21(34)33(18-6-8-19(9-7-18)37-24(26,27)28)23(36)32(14)13-15-10-11-29-20(12-15)31-22(35)30-17-4-2-16(25)3-5-17/h2-12,34H,13H2,1H3,(H2,29,30,31,35)
InChIKeyBZYLTDLZGMFJRQ-UHFFFAOYSA-N
MW549.96 g/mol
LogP6.01
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea

1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea (PubChem CID 90924951) has the molecular formula C24H19ClF3N5O3S and a molecular weight of 549.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea
PubChem CID90924951
Molecular FormulaC24H19ClF3N5O3S
Molecular Weight549.96 g/mol
Exact Mass549.08
IUPAC Name1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea
SMILESCc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1ccnc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H19ClF3N5O3S/c1-14-21(34)33(18-6-8-19(9-7-18)37-24(26,27)28)23(36)32(14)13-15-10-11-29-20(12-15)31-22(35)30-17-4-2-16(25)3-5-17/h2-12,34H,13H2,1H3,(H2,29,30,31,35)
InChIKeyBZYLTDLZGMFJRQ-UHFFFAOYSA-N
XLogP6.01
TPSA101.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.96
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide
CID 91426433
2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine
CID 91185920
4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylic acid
CID 91019121
4-hydroxy-5-methyl-1-[[2-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91035699
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide
CID 90879070
4-hydroxy-5-methyl-1-[(2-phenoxy-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 90836578
ethyl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 90935599
propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91303063
4-hydroxy-5-methyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91309793
phenyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 90897394
propan-2-yl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91310662
3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide
CID 141097570

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea (CID 90924951) is 1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea is Cc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1ccnc(NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea?
The InChIKey is BZYLTDLZGMFJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5O3S/c1-14-21(34)33(18-6-8-19(9-7-18)37-24(26,27)28)23(36)32(14)13-15-10-11-29-20(12-15)31-22(35)30-17-4-2-16(25)3-5-17/h2-12,34H,13H2,1H3,(H2,29,30,31,35).
What are the key properties of 1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea?
1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea has a molecular weight of 549.96 g/mol, XLogP of 6.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea is sourced from PubChem (CID 90924951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).