5-fluoro-1,3-dimethylbenzimidazol-2-imine

C9H10FN3 — CID 162722591

IUPAC5-fluoro-1,3-dimethylbenzimidazol-2-imine
SMILES[H]/N=c1\n(C)c2ccc(F)cc2n1C
InChIInChI=1S/C9H10FN3/c1-12-7-4-3-6(10)5-8(7)13(2)9(12)11/h3-5,11H,1-2H3/b11-9+
InChIKeyMPPQSHFJOCOMHL-PKNBQFBNSA-N
MW179.20 g/mol
LogP1.14
Rot. Bonds

About 5-fluoro-1,3-dimethylbenzimidazol-2-imine

5-fluoro-1,3-dimethylbenzimidazol-2-imine (PubChem CID 162722591) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethylbenzimidazol-2-imine.

Molecular Properties

Compound Name5-fluoro-1,3-dimethylbenzimidazol-2-imine
PubChem CID162722591
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name5-fluoro-1,3-dimethylbenzimidazol-2-imine
SMILES[H]/N=c1\n(C)c2ccc(F)cc2n1C
InChIInChI=1S/C9H10FN3/c1-12-7-4-3-6(10)5-8(7)13(2)9(12)11/h3-5,11H,1-2H3/b11-9+
InChIKeyMPPQSHFJOCOMHL-PKNBQFBNSA-N
XLogP1.14
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-methyl-1,3-benzothiazol-2-imine
CID 2049829
1,3-bis[(3,4-difluorophenyl)methyl]-5-fluorobenzimidazol-2-imine
CID 11647068
(5-fluoro-1-methylindol-2-yl)-trimethylsilane
CID 177390478
6-fluoro-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-imine
CID 63291393
5-fluoro-2-iodo-1-methylbenzimidazole
CID 68858262
5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole
CID 117176614
7-fluoro-2,4-dimethylisoquinolin-1-imine
CID 145172215
5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole
CID 138981272
6-fluoro-1,4-dimethylquinolin-2-one
CID 90037108
2-ethenyl-5-fluoro-1-methylindole
CID 56833976
1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione
CID 122233169
2-butyl-6-fluoro-3H-isoindol-1-imine
CID 63291865

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethylbenzimidazol-2-imine?
The IUPAC name of 5-fluoro-1,3-dimethylbenzimidazol-2-imine (CID 162722591) is 5-fluoro-1,3-dimethylbenzimidazol-2-imine.
What is the SMILES notation for 5-fluoro-1,3-dimethylbenzimidazol-2-imine?
The canonical SMILES for 5-fluoro-1,3-dimethylbenzimidazol-2-imine is [H]/N=c1\n(C)c2ccc(F)cc2n1C.
What is the InChIKey of 5-fluoro-1,3-dimethylbenzimidazol-2-imine?
The InChIKey is MPPQSHFJOCOMHL-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H10FN3/c1-12-7-4-3-6(10)5-8(7)13(2)9(12)11/h3-5,11H,1-2H3/b11-9+.
What are the key properties of 5-fluoro-1,3-dimethylbenzimidazol-2-imine?
5-fluoro-1,3-dimethylbenzimidazol-2-imine has a molecular weight of 179.20 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethylbenzimidazol-2-imine is sourced from PubChem (CID 162722591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).