5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine

C13H12BrN3S — CID 60785058

IUPAC5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine
SMILESCCn1c(-c2ccc(N)s2)nc2cc(Br)ccc21
InChIInChI=1S/C13H12BrN3S/c1-2-17-10-4-3-8(14)7-9(10)16-13(17)11-5-6-12(15)18-11/h3-7H,2,15H2,1H3
InChIKeyZKAJVXKJUYBTEC-UHFFFAOYSA-N
MW322.23 g/mol
LogP4.13
Rot. Bonds2

About 5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine

5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine (PubChem CID 60785058) has the molecular formula C13H12BrN3S and a molecular weight of 322.23 g/mol. Its IUPAC name is 5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine
PubChem CID60785058
Molecular FormulaC13H12BrN3S
Molecular Weight322.23 g/mol
Exact Mass320.99
IUPAC Name5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine
SMILESCCn1c(-c2ccc(N)s2)nc2cc(Br)ccc21
InChIInChI=1S/C13H12BrN3S/c1-2-17-10-4-3-8(14)7-9(10)16-13(17)11-5-6-12(15)18-11/h3-7H,2,15H2,1H3
InChIKeyZKAJVXKJUYBTEC-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 54919875
3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614505
2-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-3-amine
CID 60783962
4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79401861
3-(5-bromo-1-ethylbenzimidazol-2-yl)-4-fluoroaniline
CID 60837523
2-(5-bromo-1-ethylbenzimidazol-2-yl)-4-iodoaniline
CID 63494366
2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline
CID 107049833
2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903750
4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62047954
5-bromo-1-ethylbenzimidazole-2-carbaldehyde
CID 63772017
1-(5-bromo-1-ethylbenzimidazol-2-yl)ethanol
CID 63023634
5-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine
CID 54919687

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine?
The IUPAC name of 5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine (CID 60785058) is 5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine?
The canonical SMILES for 5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine is CCn1c(-c2ccc(N)s2)nc2cc(Br)ccc21.
What is the InChIKey of 5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine?
The InChIKey is ZKAJVXKJUYBTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3S/c1-2-17-10-4-3-8(14)7-9(10)16-13(17)11-5-6-12(15)18-11/h3-7H,2,15H2,1H3.
What are the key properties of 5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine?
5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine has a molecular weight of 322.23 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 60785058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).