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

C14H14FN3S — CID 60784771

IUPAC2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine
SMILESCCCn1c(-c2sccc2N)nc2c(F)cccc21
InChIInChI=1S/C14H14FN3S/c1-2-7-18-11-5-3-4-9(15)12(11)17-14(18)13-10(16)6-8-19-13/h3-6,8H,2,7,16H2,1H3
InChIKeyOIYZJWCXBUKXQK-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.90
Rot. Bonds3

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

2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine (PubChem CID 60784771) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine.

Molecular Properties

Compound Name2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine
PubChem CID60784771
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine
SMILESCCCn1c(-c2sccc2N)nc2c(F)cccc21
InChIInChI=1S/C14H14FN3S/c1-2-7-18-11-5-3-4-9(15)12(11)17-14(18)13-10(16)6-8-19-13/h3-6,8H,2,7,16H2,1H3
InChIKeyOIYZJWCXBUKXQK-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-methylbenzimidazol-2-yl)thiophen-3-amine
CID 60785385
5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784924
3-chloro-2-(4-fluoro-1-propylbenzimidazol-2-yl)aniline
CID 63722756
5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 136789665
2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)thiophen-3-amine
CID 61376066
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate
CID 79475283
4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784772
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate
CID 79480808
5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 60835551
N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine
CID 62852788
2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783997
4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 54934889

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine?
The IUPAC name of 2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine (CID 60784771) is 2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine.
What is the SMILES notation for 2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine?
The canonical SMILES for 2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine is CCCn1c(-c2sccc2N)nc2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine?
The InChIKey is OIYZJWCXBUKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-2-7-18-11-5-3-4-9(15)12(11)17-14(18)13-10(16)6-8-19-13/h3-6,8H,2,7,16H2,1H3.
What are the key properties of 2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine?
2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-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 2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine is sourced from PubChem (CID 60784771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).