5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine

C14H14FN3S — CID 60784924

IUPAC5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine
SMILESCCCn1c(-c2ccc(N)s2)nc2c(F)cccc21
InChIInChI=1S/C14H14FN3S/c1-2-8-18-10-5-3-4-9(15)13(10)17-14(18)11-6-7-12(16)19-11/h3-7H,2,8,16H2,1H3
InChIKeyIVHMVRPSOYYMGD-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.90
Rot. Bonds3

About 5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine

5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine (PubChem CID 60784924) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine
PubChem CID60784924
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine
SMILESCCCn1c(-c2ccc(N)s2)nc2c(F)cccc21
InChIInChI=1S/C14H14FN3S/c1-2-8-18-10-5-3-4-9(15)13(10)17-14(18)11-6-7-12(16)19-11/h3-7H,2,8,16H2,1H3
InChIKeyIVHMVRPSOYYMGD-UHFFFAOYSA-N
XLogP3.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.90
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
3-chloro-2-(4-fluoro-1-propylbenzimidazol-2-yl)aniline
CID 63722756
5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 136789665
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate
CID 79475283
5-(1-ethyl-4-fluorobenzimidazol-2-yl)pyridin-2-amine
CID 63262168
4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784772
5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine
CID 82008114
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate
CID 79480808
1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672217
5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 60835551
5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 54919875
2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80721603

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine?
The IUPAC name of 5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine (CID 60784924) is 5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine?
The canonical SMILES for 5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine is CCCn1c(-c2ccc(N)s2)nc2c(F)cccc21.
What is the InChIKey of 5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine?
The InChIKey is IVHMVRPSOYYMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-2-8-18-10-5-3-4-9(15)13(10)17-14(18)11-6-7-12(16)19-11/h3-7H,2,8,16H2,1H3.
What are the key properties of 5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine?
5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine has a molecular weight of 275.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 60784924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).