7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine

C13H12ClN3S — CID 62843686

IUPAC7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
SMILESCC(c1ccsc1)n1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C13H12ClN3S/c1-8(9-5-6-18-7-9)17-12-10(14)3-2-4-11(12)16-13(17)15/h2-8H,1H3,(H2,15,16)
InChIKeyUMRPFYLUXFWSNU-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.94
Rot. Bonds2

About 7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine

7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine (PubChem CID 62843686) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
PubChem CID62843686
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
SMILESCC(c1ccsc1)n1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C13H12ClN3S/c1-8(9-5-6-18-7-9)17-12-10(14)3-2-4-11(12)16-13(17)15/h2-8H,1H3,(H2,15,16)
InChIKeyUMRPFYLUXFWSNU-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine (CID 62843686) is 7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine is CC(c1ccsc1)n1c(N)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine?
The InChIKey is UMRPFYLUXFWSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-8(9-5-6-18-7-9)17-12-10(14)3-2-4-11(12)16-13(17)15/h2-8H,1H3,(H2,15,16).
What are the key properties of 7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine?
7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine has a molecular weight of 277.78 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 62843686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).