4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole

C12H8Cl2FN3S — CID 66112596

IUPAC4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole
SMILESFc1cc2c(cc1Cl)nc(CCl)n2Cc1cscn1
InChIInChI=1S/C12H8Cl2FN3S/c13-3-12-17-10-1-8(14)9(15)2-11(10)18(12)4-7-5-19-6-16-7/h1-2,5-6H,3-4H2
InChIKeyRARCAROGWUGTCB-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.07
Rot. Bonds3

About 4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole

4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 66112596) has the molecular formula C12H8Cl2FN3S and a molecular weight of 316.19 g/mol. Its IUPAC name is 4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole
PubChem CID66112596
Molecular FormulaC12H8Cl2FN3S
Molecular Weight316.19 g/mol
Exact Mass314.98
IUPAC Name4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole
SMILESFc1cc2c(cc1Cl)nc(CCl)n2Cc1cscn1
InChIInChI=1S/C12H8Cl2FN3S/c13-3-12-17-10-1-8(14)9(15)2-11(10)18(12)4-7-5-19-6-16-7/h1-2,5-6H,3-4H2
InChIKeyRARCAROGWUGTCB-UHFFFAOYSA-N
XLogP4.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole 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

3-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 81176870
1-[(4-bromophenyl)methyl]-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111591
4-[2-[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 63825170
4-[[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 63823547
5-chloro-2-(chloromethyl)-6-fluoro-1-(3-methylbutyl)benzimidazole
CID 66109616
4-[[2-(chloromethyl)-7-methylbenzimidazol-1-yl]methyl]-1,3-thiazole
CID 115553507
6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 63825683
2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N,N-diethylethanamine
CID 66112168
5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 63825511
3-[[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
CID 81176745
2-(chloromethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-5-carbonitrile
CID 104715767
N-[2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]ethyl]-N-ethylpropan-1-amine
CID 106003080

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole (CID 66112596) is 4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole is Fc1cc2c(cc1Cl)nc(CCl)n2Cc1cscn1.
What is the InChIKey of 4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is RARCAROGWUGTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN3S/c13-3-12-17-10-1-8(14)9(15)2-11(10)18(12)4-7-5-19-6-16-7/h1-2,5-6H,3-4H2.
What are the key properties of 4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole?
4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 316.19 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 66112596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).