[2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate

C20H16ClFN4O2S — CID 89459654

IUPAC[2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate
SMILESCc1nc(-c2ccc(F)cc2Cl)sc1COC(=O)Nc1ccc2c(c1)ncn2C
InChIInChI=1S/C20H16ClFN4O2S/c1-11-18(29-19(24-11)14-5-3-12(22)7-15(14)21)9-28-20(27)25-13-4-6-17-16(8-13)23-10-26(17)2/h3-8,10H,9H2,1-2H3,(H,25,27)
InChIKeyGTQWSSWXBAKCKD-UHFFFAOYSA-N
MW430.89 g/mol
LogP5.55
Rot. Bonds4

About [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate

[2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate (PubChem CID 89459654) has the molecular formula C20H16ClFN4O2S and a molecular weight of 430.89 g/mol. Its IUPAC name is [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate.

Molecular Properties

Compound Name[2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate
PubChem CID89459654
Molecular FormulaC20H16ClFN4O2S
Molecular Weight430.89 g/mol
Exact Mass430.07
IUPAC Name[2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate
SMILESCc1nc(-c2ccc(F)cc2Cl)sc1COC(=O)Nc1ccc2c(c1)ncn2C
InChIInChI=1S/C20H16ClFN4O2S/c1-11-18(29-19(24-11)14-5-3-12(22)7-15(14)21)9-28-20(27)25-13-4-6-17-16(8-13)23-10-26(17)2/h3-8,10H,9H2,1-2H3,(H,25,27)
InChIKeyGTQWSSWXBAKCKD-UHFFFAOYSA-N
XLogP5.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.89
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate 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 [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate?
The IUPAC name of [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate (CID 89459654) is [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate.
What is the SMILES notation for [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate?
The canonical SMILES for [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate is Cc1nc(-c2ccc(F)cc2Cl)sc1COC(=O)Nc1ccc2c(c1)ncn2C.
What is the InChIKey of [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate?
The InChIKey is GTQWSSWXBAKCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O2S/c1-11-18(29-19(24-11)14-5-3-12(22)7-15(14)21)9-28-20(27)25-13-4-6-17-16(8-13)23-10-26(17)2/h3-8,10H,9H2,1-2H3,(H,25,27).
What are the key properties of [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate?
[2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate has a molecular weight of 430.89 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate is sourced from PubChem (CID 89459654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).