2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole

C12H9Cl2N3S — CID 115471283

IUPAC2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
SMILESClCc1nc2ccc(Cl)cc2n1Cc1nccs1
InChIInChI=1S/C12H9Cl2N3S/c13-6-11-16-9-2-1-8(14)5-10(9)17(11)7-12-15-3-4-18-12/h1-5H,6-7H2
InChIKeyBGBUFGLMMCZAMM-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.93
Rot. Bonds3

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

2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 115471283) has the molecular formula C12H9Cl2N3S and a molecular weight of 298.20 g/mol. Its IUPAC name is 2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
PubChem CID115471283
Molecular FormulaC12H9Cl2N3S
Molecular Weight298.20 g/mol
Exact Mass296.99
IUPAC Name2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
SMILESClCc1nc2ccc(Cl)cc2n1Cc1nccs1
InChIInChI=1S/C12H9Cl2N3S/c13-6-11-16-9-2-1-8(14)5-10(9)17(11)7-12-15-3-4-18-12/h1-5H,6-7H2
InChIKeyBGBUFGLMMCZAMM-UHFFFAOYSA-N
XLogP3.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.93
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

5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine
CID 54964595
2-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazole
CID 63240109
6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole
CID 115471492
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701318
6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 115471451
6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 115471149
6-chloro-2-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazole
CID 115471397
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 115470747
2-[[6-bromo-2-(chloromethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 65346277
1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 113316328
2-(chloromethyl)-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazole
CID 62533960

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole (CID 115471283) is 2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole is ClCc1nc2ccc(Cl)cc2n1Cc1nccs1.
What is the InChIKey of 2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is BGBUFGLMMCZAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3S/c13-6-11-16-9-2-1-8(14)5-10(9)17(11)7-12-15-3-4-18-12/h1-5H,6-7H2.
What are the key properties of 2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole?
2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 298.20 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 115471283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).