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

C13H12BrN3S — CID 43662122

IUPAC5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
SMILESCC(c1cccs1)n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C13H12BrN3S/c1-8(12-3-2-6-18-12)17-11-5-4-9(14)7-10(11)16-13(17)15/h2-8H,1H3,(H2,15,16)
InChIKeyHDZJCNHGMNCBDU-UHFFFAOYSA-N
MW322.23 g/mol
LogP4.05
Rot. Bonds2

About 5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine

5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine (PubChem CID 43662122) has the molecular formula C13H12BrN3S and a molecular weight of 322.23 g/mol. Its IUPAC name is 5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
PubChem CID43662122
Molecular FormulaC13H12BrN3S
Molecular Weight322.23 g/mol
Exact Mass320.99
IUPAC Name5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
SMILESCC(c1cccs1)n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C13H12BrN3S/c1-8(12-3-2-6-18-12)17-11-5-4-9(14)7-10(11)16-13(17)15/h2-8H,1H3,(H2,15,16)
InChIKeyHDZJCNHGMNCBDU-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

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Related Compounds

6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 65347412
1-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502017
5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 103592746
5-bromo-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
CID 62843687
5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine
CID 113486569
5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine
CID 54950603
5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 43661479
3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79290150
5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
CID 43661906
5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66087858
2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
CID 60783324
5,6-dimethyl-1-(1-phenylethyl)benzimidazol-2-amine
CID 82359041

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine (CID 43662122) is 5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine is CC(c1cccs1)n1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine?
The InChIKey is HDZJCNHGMNCBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3S/c1-8(12-3-2-6-18-12)17-11-5-4-9(14)7-10(11)16-13(17)15/h2-8H,1H3,(H2,15,16).
What are the key properties of 5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine?
5-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 5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 43662122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).