1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea

C20H16F3N5OS — CID 58601712

IUPAC1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea
SMILESCN(C(=O)Nc1ccc2nc(-c3cscn3)[nH]c2c1)c1ccccc1CC(F)(F)F
InChIInChI=1S/C20H16F3N5OS/c1-28(17-5-3-2-4-12(17)9-20(21,22)23)19(29)25-13-6-7-14-15(8-13)27-18(26-14)16-10-30-11-24-16/h2-8,10-11H,9H2,1H3,(H,25,29)(H,26,27)
InChIKeyZFDVZBMHSJJWGZ-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.46
Rot. Bonds4

About 1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea

1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea (PubChem CID 58601712) has the molecular formula C20H16F3N5OS and a molecular weight of 431.44 g/mol. Its IUPAC name is 1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea
PubChem CID58601712
Molecular FormulaC20H16F3N5OS
Molecular Weight431.44 g/mol
Exact Mass431.10
IUPAC Name1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea
SMILESCN(C(=O)Nc1ccc2nc(-c3cscn3)[nH]c2c1)c1ccccc1CC(F)(F)F
InChIInChI=1S/C20H16F3N5OS/c1-28(17-5-3-2-4-12(17)9-20(21,22)23)19(29)25-13-6-7-14-15(8-13)27-18(26-14)16-10-30-11-24-16/h2-8,10-11H,9H2,1H3,(H,25,29)(H,26,27)
InChIKeyZFDVZBMHSJJWGZ-UHFFFAOYSA-N
XLogP5.46
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]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

Cambendazole
CID 33309
1H-Benzimidazol-5-amine, 2-(4-thiazolyl)-
CID 134912
2-(2-thiazol-4-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9400179
Carbamic acid, (2-(4-thiazolyl)-1H-benzimidazol-5-yl)-, ethyl ester
CID 326899
1-[2-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-oxoethyl]-3,3-difluoroindol-2-one
CID 89726634
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 117740351
2-[3-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-1-(2,3-dihydro-indol-1-yl)-ethanone
CID 1432534
4-p-tolyl-N-(2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)ethyl)thiazol-2-amine
CID 24817246
N-[4-(propan-2-yl)phenyl]-2-[2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazol-1-yl]acetamide
CID 4084632
4-(5-methyl-1H-benzo[d]imidazol-2-yl)thiazole
CID 11535861
7,8-Difluoro-4-((2-(4-methylthiazol-5-yl)-1H-benzo[d]imidazol-1-yl)methyl)quinolin-2(1H)-one
CID 24782903
8-Fluoro-4-((2-(4-methylthiazol-5-yl)-1h-benzo[d]imidazol-1-yl)methyl)quinolin-2(1h)-one
CID 49836940

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea?
The IUPAC name of 1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea (CID 58601712) is 1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea?
The canonical SMILES for 1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea is CN(C(=O)Nc1ccc2nc(-c3cscn3)[nH]c2c1)c1ccccc1CC(F)(F)F.
What is the InChIKey of 1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea?
The InChIKey is ZFDVZBMHSJJWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5OS/c1-28(17-5-3-2-4-12(17)9-20(21,22)23)19(29)25-13-6-7-14-15(8-13)27-18(26-14)16-10-30-11-24-16/h2-8,10-11H,9H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea?
1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea has a molecular weight of 431.44 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(2,2,2-trifluoroethyl)phenyl]urea is sourced from PubChem (CID 58601712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).