6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine

C11H14FN3S — CID 103294952

IUPAC6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
SMILESCSCCCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C11H14FN3S/c1-16-6-2-5-13-11-14-9-4-3-8(12)7-10(9)15-11/h3-4,7H,2,5-6H2,1H3,(H2,13,14,15)
InChIKeyGZGIDPMODVXPKM-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.87
Rot. Bonds5

About 6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine

6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine (PubChem CID 103294952) has the molecular formula C11H14FN3S and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
PubChem CID103294952
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC Name6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
SMILESCSCCCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C11H14FN3S/c1-16-6-2-5-13-11-14-9-4-3-8(12)7-10(9)15-11/h3-4,7H,2,5-6H2,1H3,(H2,13,14,15)
InChIKeyGZGIDPMODVXPKM-UHFFFAOYSA-N
XLogP2.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786
6-fluoro-N-(2-prop-2-enylsulfanylethyl)-1H-benzimidazol-2-amine
CID 106430091
N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103294912
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide
CID 103294871
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277
6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine
CID 114184467
6-fluoro-N-(2-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294739

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine (CID 103294952) is 6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine is CSCCCNc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine?
The InChIKey is GZGIDPMODVXPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S/c1-16-6-2-5-13-11-14-9-4-3-8(12)7-10(9)15-11/h3-4,7H,2,5-6H2,1H3,(H2,13,14,15).
What are the key properties of 6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine?
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 103294952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).