2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole

C14H12Cl2FN3S — CID 66110246

IUPAC2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)n1c(CCCl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C14H12Cl2FN3S/c1-8(14-18-4-5-21-14)20-12-7-10(17)9(16)6-11(12)19-13(20)2-3-15/h4-8H,2-3H2,1H3
InChIKeyDOPDIEZRBVWXGS-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.68
Rot. Bonds4

About 2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole

2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole (PubChem CID 66110246) has the molecular formula C14H12Cl2FN3S and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
PubChem CID66110246
Molecular FormulaC14H12Cl2FN3S
Molecular Weight344.24 g/mol
Exact Mass343.01
IUPAC Name2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)n1c(CCCl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C14H12Cl2FN3S/c1-8(14-18-4-5-21-14)20-12-7-10(17)9(16)6-11(12)19-13(20)2-3-15/h4-8H,2-3H2,1H3
InChIKeyDOPDIEZRBVWXGS-UHFFFAOYSA-N
XLogP4.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 116739157
2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole
CID 79292688
5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66109631
5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole
CID 66111033
2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide
CID 66112385
5-chloro-2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole
CID 66112395
5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667590
5-chloro-2-(2-chloroethyl)-1-(cyclopropylmethyl)-6-fluorobenzimidazole
CID 66077348
5-bromo-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66085957
5-chloro-2-(chloromethyl)-6-fluoro-1-hexan-3-ylbenzimidazole
CID 66109647
1-butan-2-yl-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 43666323
2-[1-[2-(1-chloroethyl)-5-iodobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 66082268

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole (CID 66110246) is 2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole is CC(c1nccs1)n1c(CCCl)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole?
The InChIKey is DOPDIEZRBVWXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN3S/c1-8(14-18-4-5-21-14)20-12-7-10(17)9(16)6-11(12)19-13(20)2-3-15/h4-8H,2-3H2,1H3.
What are the key properties of 2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole?
2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole has a molecular weight of 344.24 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 66110246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).