ethane;5-fluoro-6-methyl-1H-benzimidazole

C12H19FN2 — CID 162381699

IUPACethane;5-fluoro-6-methyl-1H-benzimidazole
SMILESCC.CC.Cc1cc2[nH]cnc2cc1F
InChIInChI=1S/C8H7FN2.2C2H6/c1-5-2-7-8(3-6(5)9)11-4-10-7;2*1-2/h2-4H,1H3,(H,10,11);2*1-2H3
InChIKeyCFDFWRPXQUIXKJ-UHFFFAOYSA-N
MW210.30 g/mol
LogP4.06
Rot. Bonds

About ethane;5-fluoro-6-methyl-1H-benzimidazole

ethane;5-fluoro-6-methyl-1H-benzimidazole (PubChem CID 162381699) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is ethane;5-fluoro-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Nameethane;5-fluoro-6-methyl-1H-benzimidazole
PubChem CID162381699
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Nameethane;5-fluoro-6-methyl-1H-benzimidazole
SMILESCC.CC.Cc1cc2[nH]cnc2cc1F
InChIInChI=1S/C8H7FN2.2C2H6/c1-5-2-7-8(3-6(5)9)11-4-10-7;2*1-2/h2-4H,1H3,(H,10,11);2*1-2H3
InChIKeyCFDFWRPXQUIXKJ-UHFFFAOYSA-N
XLogP4.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

dichlorocobalt;5,6-dimethyl-1H-benzimidazole
CID 160743533
6-(difluoromethyl)-5-fluoro-1H-benzimidazole
CID 131115762
N,N,6-trimethyl-1H-benzimidazol-5-amine
CID 20785148
6-methyl-5-phenyl-1H-benzimidazole
CID 20784905
5-chloro-6-methyl-1H-benzimidazole;pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecayne
CID 159227516
2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole
CID 11041715
4-fluoro-6-methyl-1H-benzimidazol-5-amine
CID 70645112
6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one
CID 59874558
4-bromo-5-methylbenzene-1,2-diamine;5-bromo-6-methyl-1H-benzimidazole;formic acid
CID 158989631
N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 43397751
6-(hydroxymethyl)-1H-benzimidazol-5-ol
CID 130998540
dibromolead;6-methyl-1H-benzimidazole
CID 175410470

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-6-methyl-1H-benzimidazole?
The IUPAC name of ethane;5-fluoro-6-methyl-1H-benzimidazole (CID 162381699) is ethane;5-fluoro-6-methyl-1H-benzimidazole.
What is the SMILES notation for ethane;5-fluoro-6-methyl-1H-benzimidazole?
The canonical SMILES for ethane;5-fluoro-6-methyl-1H-benzimidazole is CC.CC.Cc1cc2[nH]cnc2cc1F.
What is the InChIKey of ethane;5-fluoro-6-methyl-1H-benzimidazole?
The InChIKey is CFDFWRPXQUIXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2.2C2H6/c1-5-2-7-8(3-6(5)9)11-4-10-7;2*1-2/h2-4H,1H3,(H,10,11);2*1-2H3.
What are the key properties of ethane;5-fluoro-6-methyl-1H-benzimidazole?
ethane;5-fluoro-6-methyl-1H-benzimidazole has a molecular weight of 210.30 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-6-methyl-1H-benzimidazole is sourced from PubChem (CID 162381699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).