6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine

C14H11F2N3S — CID 107645393

IUPAC6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
SMILESCSc1ccccc1-n1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C14H11F2N3S/c1-20-11-5-3-2-4-10(11)19-13-9(18-14(19)17)7-6-8(15)12(13)16/h2-7H,1H3,(H2,17,18)
InChIKeyVTZPGUATSPAUCN-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.61
Rot. Bonds2

About 6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine

6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine (PubChem CID 107645393) has the molecular formula C14H11F2N3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
PubChem CID107645393
Molecular FormulaC14H11F2N3S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
SMILESCSc1ccccc1-n1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C14H11F2N3S/c1-20-11-5-3-2-4-10(11)19-13-9(18-14(19)17)7-6-8(15)12(13)16/h2-7H,1H3,(H2,17,18)
InChIKeyVTZPGUATSPAUCN-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 62531539
6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
CID 63546227
6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
CID 107645401
6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 107645396
6,7-difluoro-1-methylbenzimidazol-2-amine
CID 62532542
6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 62531537
1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine
CID 107791596
6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 113466697
1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine
CID 62532885
4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile
CID 62531364
1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine
CID 82859399
1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine
CID 113499207

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine (CID 107645393) is 6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine is CSc1ccccc1-n1c(N)nc2ccc(F)c(F)c21.
What is the InChIKey of 6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine?
The InChIKey is VTZPGUATSPAUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3S/c1-20-11-5-3-2-4-10(11)19-13-9(18-14(19)17)7-6-8(15)12(13)16/h2-7H,1H3,(H2,17,18).
What are the key properties of 6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine?
6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine has a molecular weight of 291.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 107645393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).