2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine

C12H10FN3S — CID 60785385

IUPAC2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine
SMILESCn1c(-c2sccc2N)nc2c(F)cccc21
InChIInChI=1S/C12H10FN3S/c1-16-9-4-2-3-7(13)10(9)15-12(16)11-8(14)5-6-17-11/h2-6H,14H2,1H3
InChIKeySSJUJZOEYJCPFU-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.02
Rot. Bonds1

About 2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine

2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine (PubChem CID 60785385) has the molecular formula C12H10FN3S and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine.

Molecular Properties

Compound Name2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine
PubChem CID60785385
Molecular FormulaC12H10FN3S
Molecular Weight247.30 g/mol
Exact Mass247.06
IUPAC Name2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine
SMILESCn1c(-c2sccc2N)nc2c(F)cccc21
InChIInChI=1S/C12H10FN3S/c1-16-9-4-2-3-7(13)10(9)15-12(16)11-8(14)5-6-17-11/h2-6H,14H2,1H3
InChIKeySSJUJZOEYJCPFU-UHFFFAOYSA-N
XLogP3.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine
CID 60784771
2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783997
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine
CID 63262129
2-(1,5-dimethylbenzimidazol-2-yl)thiophen-3-amine
CID 60785137
2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 63111708
4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
CID 79402324
2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine
CID 60784916
5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784924
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62947060
1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61291205
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine?
The IUPAC name of 2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine (CID 60785385) is 2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine.
What is the SMILES notation for 2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine?
The canonical SMILES for 2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine is Cn1c(-c2sccc2N)nc2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine?
The InChIKey is SSJUJZOEYJCPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3S/c1-16-9-4-2-3-7(13)10(9)15-12(16)11-8(14)5-6-17-11/h2-6H,14H2,1H3.
What are the key properties of 2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine?
2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine has a molecular weight of 247.30 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine is sourced from PubChem (CID 60785385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).