3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine

C13H12ClN3S — CID 63614668

IUPAC3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine
SMILESCCc1cc(-c2nc3ccc(Cl)cc3[nH]2)c(N)s1
InChIInChI=1S/C13H12ClN3S/c1-2-8-6-9(12(15)18-8)13-16-10-4-3-7(14)5-11(10)17-13/h3-6H,2,15H2,1H3,(H,16,17)
InChIKeyOCVGWVUQNPUTNW-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.09
Rot. Bonds2

About 3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine

3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine (PubChem CID 63614668) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine.

Molecular Properties

Compound Name3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine
PubChem CID63614668
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine
SMILESCCc1cc(-c2nc3ccc(Cl)cc3[nH]2)c(N)s1
InChIInChI=1S/C13H12ClN3S/c1-2-8-6-9(12(15)18-8)13-16-10-4-3-7(14)5-11(10)17-13/h3-6H,2,15H2,1H3,(H,16,17)
InChIKeyOCVGWVUQNPUTNW-UHFFFAOYSA-N
XLogP4.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine
CID 63615475
4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline
CID 139915272
5-methyl-3-(6-methyl-1H-benzimidazol-2-yl)thiophen-2-amine
CID 55250119
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 115473018
6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60975061
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614173
3-(6-methoxy-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
CID 65017726
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
6-chloro-2-(1-ethylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 102552286
[2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004467

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine?
The IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine (CID 63614668) is 3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine.
What is the SMILES notation for 3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine?
The canonical SMILES for 3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine is CCc1cc(-c2nc3ccc(Cl)cc3[nH]2)c(N)s1.
What is the InChIKey of 3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine?
The InChIKey is OCVGWVUQNPUTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-2-8-6-9(12(15)18-8)13-16-10-4-3-7(14)5-11(10)17-13/h3-6H,2,15H2,1H3,(H,16,17).
What are the key properties of 3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine?
3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine has a molecular weight of 277.78 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine is sourced from PubChem (CID 63614668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).