6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine

C13H12BrN3S — CID 65347412

IUPAC6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
SMILESCC(c1cccs1)n1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C13H12BrN3S/c1-8(12-3-2-6-18-12)17-11-7-9(14)4-5-10(11)16-13(17)15/h2-8H,1H3,(H2,15,16)
InChIKeyHRPDYCMAQBQTCX-UHFFFAOYSA-N
MW322.23 g/mol
LogP4.05
Rot. Bonds2

About 6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine

6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine (PubChem CID 65347412) has the molecular formula C13H12BrN3S and a molecular weight of 322.23 g/mol. Its IUPAC name is 6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
PubChem CID65347412
Molecular FormulaC13H12BrN3S
Molecular Weight322.23 g/mol
Exact Mass320.99
IUPAC Name6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
SMILESCC(c1cccs1)n1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C13H12BrN3S/c1-8(12-3-2-6-18-12)17-11-7-9(14)4-5-10(11)16-13(17)15/h2-8H,1H3,(H2,15,16)
InChIKeyHRPDYCMAQBQTCX-UHFFFAOYSA-N
XLogP4.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine (CID 65347412) is 6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine is CC(c1cccs1)n1c(N)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine?
The InChIKey is HRPDYCMAQBQTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3S/c1-8(12-3-2-6-18-12)17-11-7-9(14)4-5-10(11)16-13(17)15/h2-8H,1H3,(H2,15,16).
What are the key properties of 6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine?
6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine has a molecular weight of 322.23 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 65347412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).