3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine

C13H12ClN3S — CID 60786421

IUPAC3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine
SMILESCCn1c(-c2ccsc2N)nc2cccc(Cl)c21
InChIInChI=1S/C13H12ClN3S/c1-2-17-11-9(14)4-3-5-10(11)16-13(17)8-6-7-18-12(8)15/h3-7H,2,15H2,1H3
InChIKeyWMUYFQIHWKTLAG-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.02
Rot. Bonds2

About 3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine

3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine (PubChem CID 60786421) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine
PubChem CID60786421
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine
SMILESCCn1c(-c2ccsc2N)nc2cccc(Cl)c21
InChIInChI=1S/C13H12ClN3S/c1-2-17-11-9(14)4-3-5-10(11)16-13(17)8-6-7-18-12(8)15/h3-7H,2,15H2,1H3
InChIKeyWMUYFQIHWKTLAG-UHFFFAOYSA-N
XLogP4.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-chloro-1-ethylbenzimidazol-2-yl)-5-methylthiophen-2-amine
CID 63618561
2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915465
2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol
CID 136789674
5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine
CID 55166004
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
(7-chloro-1-ethylbenzimidazol-2-yl)hydrazine
CID 115059664
3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784251
3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60788262
(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol
CID 94958065
3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine
CID 60786927
2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine
CID 65220925
3-(7-chloro-1-ethylbenzimidazol-2-yl)propanoic acid
CID 60783679

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine?
The IUPAC name of 3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine (CID 60786421) is 3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine?
The canonical SMILES for 3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine is CCn1c(-c2ccsc2N)nc2cccc(Cl)c21.
What is the InChIKey of 3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine?
The InChIKey is WMUYFQIHWKTLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-2-17-11-9(14)4-3-5-10(11)16-13(17)8-6-7-18-12(8)15/h3-7H,2,15H2,1H3.
What are the key properties of 3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine?
3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine has a molecular weight of 277.78 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 60786421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).