6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine

C10H12FN3OS — CID 103295135

IUPAC6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
SMILESCS(=O)CCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C10H12FN3OS/c1-16(15)5-4-12-10-13-8-3-2-7(11)6-9(8)14-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)
InChIKeyXCOUQYJFJCNPAL-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.49
Rot. Bonds4

About 6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine

6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine (PubChem CID 103295135) has the molecular formula C10H12FN3OS and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
PubChem CID103295135
Molecular FormulaC10H12FN3OS
Molecular Weight241.29 g/mol
Exact Mass241.07
IUPAC Name6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
SMILESCS(=O)CCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C10H12FN3OS/c1-16(15)5-4-12-10-13-8-3-2-7(11)6-9(8)14-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)
InChIKeyXCOUQYJFJCNPAL-UHFFFAOYSA-N
XLogP1.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide
CID 103294871
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
CID 103295026
N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103294912
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277
6-fluoro-N-(2-prop-2-enylsulfanylethyl)-1H-benzimidazol-2-amine
CID 106430091
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103295107

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine (CID 103295135) is 6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine is CS(=O)CCNc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine?
The InChIKey is XCOUQYJFJCNPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3OS/c1-16(15)5-4-12-10-13-8-3-2-7(11)6-9(8)14-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14).
What are the key properties of 6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine?
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine has a molecular weight of 241.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 103295135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).