4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine

C12H15F2N3S — CID 115508892

IUPAC4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
SMILESCSCC(C)Cn1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C12H15F2N3S/c1-7(6-18-2)5-17-10-4-8(13)3-9(14)11(10)16-12(17)15/h3-4,7H,5-6H2,1-2H3,(H2,15,16)
InChIKeyNVWAMCQCSMVCDL-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.90
Rot. Bonds4

About 4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine

4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine (PubChem CID 115508892) has the molecular formula C12H15F2N3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
PubChem CID115508892
Molecular FormulaC12H15F2N3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
SMILESCSCC(C)Cn1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C12H15F2N3S/c1-7(6-18-2)5-17-10-4-8(13)3-9(14)11(10)16-12(17)15/h3-4,7H,5-6H2,1-2H3,(H2,15,16)
InChIKeyNVWAMCQCSMVCDL-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143532
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 115508683
5-iodo-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 66080022
1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine
CID 113499218
4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine
CID 115508797
4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115508787
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
4,6-difluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406005
4,6-difluoro-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 115508969
2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole
CID 115509041
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazole
CID 66087894

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine?
The IUPAC name of 4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine (CID 115508892) is 4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine?
The canonical SMILES for 4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine is CSCC(C)Cn1c(N)nc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine?
The InChIKey is NVWAMCQCSMVCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3S/c1-7(6-18-2)5-17-10-4-8(13)3-9(14)11(10)16-12(17)15/h3-4,7H,5-6H2,1-2H3,(H2,15,16).
What are the key properties of 4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine?
4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine has a molecular weight of 271.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 115508892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).