ethane;6-fluoro-2-methyl-1H-benzimidazole

C10H13FN2 — CID 142961640

IUPACethane;6-fluoro-2-methyl-1H-benzimidazole
SMILESCC.Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C8H7FN2.C2H6/c1-5-10-7-3-2-6(9)4-8(7)11-5;1-2/h2-4H,1H3,(H,10,11);1-2H3
InChIKeyMDFPKYUAFVUGCF-UHFFFAOYSA-N
MW180.23 g/mol
LogP3.04
Rot. Bonds

About ethane;6-fluoro-2-methyl-1H-benzimidazole

ethane;6-fluoro-2-methyl-1H-benzimidazole (PubChem CID 142961640) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is ethane;6-fluoro-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Nameethane;6-fluoro-2-methyl-1H-benzimidazole
PubChem CID142961640
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Nameethane;6-fluoro-2-methyl-1H-benzimidazole
SMILESCC.Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C8H7FN2.C2H6/c1-5-10-7-3-2-6(9)4-8(7)11-5;1-2/h2-4H,1H3,(H,10,11);1-2H3
InChIKeyMDFPKYUAFVUGCF-UHFFFAOYSA-N
XLogP3.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;6-fluoro-2-methyl-1H-benzimidazole 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

2-methyl-3H-benzimidazole-5-thiol
CID 43154899
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine
CID 156727544
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
2-methyl-3H-benzimidazole-5-sulfinyl fluoride
CID 118054438
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 60707578
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-2-methyl-1H-benzimidazole?
The IUPAC name of ethane;6-fluoro-2-methyl-1H-benzimidazole (CID 142961640) is ethane;6-fluoro-2-methyl-1H-benzimidazole.
What is the SMILES notation for ethane;6-fluoro-2-methyl-1H-benzimidazole?
The canonical SMILES for ethane;6-fluoro-2-methyl-1H-benzimidazole is CC.Cc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of ethane;6-fluoro-2-methyl-1H-benzimidazole?
The InChIKey is MDFPKYUAFVUGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2.C2H6/c1-5-10-7-3-2-6(9)4-8(7)11-5;1-2/h2-4H,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;6-fluoro-2-methyl-1H-benzimidazole?
ethane;6-fluoro-2-methyl-1H-benzimidazole has a molecular weight of 180.23 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-2-methyl-1H-benzimidazole is sourced from PubChem (CID 142961640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).