2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole

C8H4ClF3N2 — CID 130895405

IUPAC2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole
SMILESFc1ccc(C(F)F)c2nc(Cl)[nH]c12
InChIInChI=1S/C8H4ClF3N2/c9-8-13-5-3(7(11)12)1-2-4(10)6(5)14-8/h1-2,7H,(H,13,14)
InChIKeyBUZZYXUIIHGRHL-UHFFFAOYSA-N
MW220.58 g/mol
LogP3.29
Rot. Bonds1

About 2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole

2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole (PubChem CID 130895405) has the molecular formula C8H4ClF3N2 and a molecular weight of 220.58 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole
PubChem CID130895405
Molecular FormulaC8H4ClF3N2
Molecular Weight220.58 g/mol
Exact Mass220.00
IUPAC Name2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole
SMILESFc1ccc(C(F)F)c2nc(Cl)[nH]c12
InChIInChI=1S/C8H4ClF3N2/c9-8-13-5-3(7(11)12)1-2-4(10)6(5)14-8/h1-2,7H,(H,13,14)
InChIKeyBUZZYXUIIHGRHL-UHFFFAOYSA-N
XLogP3.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-7-(difluoromethyl)-3H-benzimidazole-4-carboxylic acid
CID 131521145
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CID 130968745
3-chloro-1-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776741
1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene
CID 134623230
3,4-dichloro-5-(difluoromethyl)-2-fluoropyridine
CID 130099211
3-(difluoromethyl)-6-fluoro-2-iodopyridine
CID 130096186
6-(difluoromethyl)-2,3-difluorobenzenethiol
CID 130935007
4-chloro-2-(difluoromethyl)-5,8-difluoroquinoline
CID 62890910
2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine
CID 105458279
4-chloro-1-(difluoromethyl)-2-ethynylbenzene
CID 162256966
5-chloro-2-(difluoromethyl)benzonitrile
CID 117280914
6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine
CID 167147099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole?
The IUPAC name of 2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole (CID 130895405) is 2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole is Fc1ccc(C(F)F)c2nc(Cl)[nH]c12.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole?
The InChIKey is BUZZYXUIIHGRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2/c9-8-13-5-3(7(11)12)1-2-4(10)6(5)14-8/h1-2,7H,(H,13,14).
What are the key properties of 2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole?
2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole has a molecular weight of 220.58 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole is sourced from PubChem (CID 130895405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).