5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine

C13H12FN3S — CID 54919875

IUPAC5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
SMILESCCn1c(-c2ccc(N)s2)nc2cc(F)ccc21
InChIInChI=1S/C13H12FN3S/c1-2-17-10-4-3-8(14)7-9(10)16-13(17)11-5-6-12(15)18-11/h3-7H,2,15H2,1H3
InChIKeyBQLMOESWHSTGIR-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.51
Rot. Bonds2

About 5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine

5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine (PubChem CID 54919875) has the molecular formula C13H12FN3S and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
PubChem CID54919875
Molecular FormulaC13H12FN3S
Molecular Weight261.33 g/mol
Exact Mass261.07
IUPAC Name5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
SMILESCCn1c(-c2ccc(N)s2)nc2cc(F)ccc21
InChIInChI=1S/C13H12FN3S/c1-2-17-10-4-3-8(14)7-9(10)16-13(17)11-5-6-12(15)18-11/h3-7H,2,15H2,1H3
InChIKeyBQLMOESWHSTGIR-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine
CID 60785058
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline
CID 60784226
3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 60783425
5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
CID 129175478
5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline
CID 63743435
5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine
CID 63262376
2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 62387448
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113307952
1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine
CID 65245395

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine?
The IUPAC name of 5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine (CID 54919875) is 5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine?
The canonical SMILES for 5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine is CCn1c(-c2ccc(N)s2)nc2cc(F)ccc21.
What is the InChIKey of 5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine?
The InChIKey is BQLMOESWHSTGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S/c1-2-17-10-4-3-8(14)7-9(10)16-13(17)11-5-6-12(15)18-11/h3-7H,2,15H2,1H3.
What are the key properties of 5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine?
5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine has a molecular weight of 261.33 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 54919875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).