1-tert-butyl-5,7-difluoro-2-methylbenzimidazole

C12H14F2N2 — CID 174310825

IUPAC1-tert-butyl-5,7-difluoro-2-methylbenzimidazole
SMILESCc1nc2cc(F)cc(F)c2n1C(C)(C)C
InChIInChI=1S/C12H14F2N2/c1-7-15-10-6-8(13)5-9(14)11(10)16(7)12(2,3)4/h5-6H,1-4H3
InChIKeyZKVGBOYPRXZGNL-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.38
Rot. Bonds

About 1-tert-butyl-5,7-difluoro-2-methylbenzimidazole

1-tert-butyl-5,7-difluoro-2-methylbenzimidazole (PubChem CID 174310825) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-tert-butyl-5,7-difluoro-2-methylbenzimidazole.

Molecular Properties

Compound Name1-tert-butyl-5,7-difluoro-2-methylbenzimidazole
PubChem CID174310825
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name1-tert-butyl-5,7-difluoro-2-methylbenzimidazole
SMILESCc1nc2cc(F)cc(F)c2n1C(C)(C)C
InChIInChI=1S/C12H14F2N2/c1-7-15-10-6-8(13)5-9(14)11(10)16(7)12(2,3)4/h5-6H,1-4H3
InChIKeyZKVGBOYPRXZGNL-UHFFFAOYSA-N
XLogP3.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-5,7-difluoro-2-methylbenzimidazole 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-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine
CID 106531898
1-tert-butyl-6-chloro-2-methylbenzimidazole
CID 20728140
2-(5-ethyl-4-methyl-3-pyridinyl)-5,7-difluoro-1-methylbenzimidazole
CID 123758721
3-tert-butyl-2-chloro-5,7-difluoroquinoline
CID 55185283
7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole
CID 54058585
6,8-difluoro-3,4-dimethylimidazo[1,5-a]quinoxaline
CID 143812494
2,3-ditert-butyl-6,7-difluoroquinazolin-4-one
CID 90250791
6-bromo-1-tert-butyl-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738667
5,7-difluoro-N,2-dimethylquinolin-4-amine
CID 62204101
4-tert-butyl-3-(chloromethyl)-5-(2,4-difluorophenyl)-1,2,4-triazole
CID 113301986
3-fluoro-6-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 166534161
(5,7-difluoro-2,3-dimethylquinolin-4-yl)hydrazine
CID 62250577

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5,7-difluoro-2-methylbenzimidazole?
The IUPAC name of 1-tert-butyl-5,7-difluoro-2-methylbenzimidazole (CID 174310825) is 1-tert-butyl-5,7-difluoro-2-methylbenzimidazole.
What is the SMILES notation for 1-tert-butyl-5,7-difluoro-2-methylbenzimidazole?
The canonical SMILES for 1-tert-butyl-5,7-difluoro-2-methylbenzimidazole is Cc1nc2cc(F)cc(F)c2n1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5,7-difluoro-2-methylbenzimidazole?
The InChIKey is ZKVGBOYPRXZGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-7-15-10-6-8(13)5-9(14)11(10)16(7)12(2,3)4/h5-6H,1-4H3.
What are the key properties of 1-tert-butyl-5,7-difluoro-2-methylbenzimidazole?
1-tert-butyl-5,7-difluoro-2-methylbenzimidazole has a molecular weight of 224.25 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5,7-difluoro-2-methylbenzimidazole is sourced from PubChem (CID 174310825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).