5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole

C8H5Cl2FN2 — CID 130658186

IUPAC5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole
SMILESFc1c(Cl)ccc2[nH]c(CCl)nc12
InChIInChI=1S/C8H5Cl2FN2/c9-3-6-12-5-2-1-4(10)7(11)8(5)13-6/h1-2H,3H2,(H,12,13)
InChIKeyDRUSVBSDWLBQBF-UHFFFAOYSA-N
MW219.05 g/mol
LogP3.09
Rot. Bonds1

About 5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole

5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole (PubChem CID 130658186) has the molecular formula C8H5Cl2FN2 and a molecular weight of 219.05 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole
PubChem CID130658186
Molecular FormulaC8H5Cl2FN2
Molecular Weight219.05 g/mol
Exact Mass217.98
IUPAC Name5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole
SMILESFc1c(Cl)ccc2[nH]c(CCl)nc12
InChIInChI=1S/C8H5Cl2FN2/c9-3-6-12-5-2-1-4(10)7(11)8(5)13-6/h1-2H,3H2,(H,12,13)
InChIKeyDRUSVBSDWLBQBF-UHFFFAOYSA-N
XLogP3.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 126972905
2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile
CID 130987533
2-(4-chlorobutyl)-4,5-difluoro-1H-benzimidazole
CID 112556642
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 114271711
5-chloro-4-fluoro-2-(5-fluoro-2-pyridinyl)-1H-benzimidazole
CID 114271734
2-(chloromethyl)-4-methyl-5-methylsulfonyl-1H-benzimidazole
CID 70595884
4-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)pyridin-3-ol
CID 136951446
2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole
CID 82007491
2-(chloromethyl)-4-methyl-5-nitro-1H-benzimidazole
CID 130053119
2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole
CID 130053126

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole?
The IUPAC name of 5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole (CID 130658186) is 5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole?
The canonical SMILES for 5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole is Fc1c(Cl)ccc2[nH]c(CCl)nc12.
What is the InChIKey of 5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole?
The InChIKey is DRUSVBSDWLBQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FN2/c9-3-6-12-5-2-1-4(10)7(11)8(5)13-6/h1-2H,3H2,(H,12,13).
What are the key properties of 5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole?
5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole has a molecular weight of 219.05 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 130658186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).