3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine

C15H16BrN3S — CID 63614505

IUPAC3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
SMILESCCc1cc(-c2nc3cc(Br)ccc3n2CC)c(N)s1
InChIInChI=1S/C15H16BrN3S/c1-3-10-8-11(14(17)20-10)15-18-12-7-9(16)5-6-13(12)19(15)4-2/h5-8H,3-4,17H2,1-2H3
InChIKeyIQTXGCKLOUIBJG-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.69
Rot. Bonds3

About 3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine

3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine (PubChem CID 63614505) has the molecular formula C15H16BrN3S and a molecular weight of 350.29 g/mol. Its IUPAC name is 3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine.

Molecular Properties

Compound Name3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
PubChem CID63614505
Molecular FormulaC15H16BrN3S
Molecular Weight350.29 g/mol
Exact Mass349.02
IUPAC Name3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
SMILESCCc1cc(-c2nc3cc(Br)ccc3n2CC)c(N)s1
InChIInChI=1S/C15H16BrN3S/c1-3-10-8-11(14(17)20-10)15-18-12-7-9(16)5-6-13(12)19(15)4-2/h5-8H,3-4,17H2,1-2H3
InChIKeyIQTXGCKLOUIBJG-UHFFFAOYSA-N
XLogP4.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-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

Related Compounds

5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 63615316
5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine
CID 60785058
3-(5-bromo-1-ethylbenzimidazol-2-yl)-4-fluoroaniline
CID 60837523
2-(5-bromo-1-ethylbenzimidazol-2-yl)-4-iodoaniline
CID 63494366
4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79401861
2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline
CID 107049833
2-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-3-amine
CID 60783962
2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903750
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614173
3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 60783425
2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65309133
3-(5-bromo-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 62946740

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine?
The IUPAC name of 3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine (CID 63614505) is 3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine.
What is the SMILES notation for 3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine?
The canonical SMILES for 3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine is CCc1cc(-c2nc3cc(Br)ccc3n2CC)c(N)s1.
What is the InChIKey of 3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine?
The InChIKey is IQTXGCKLOUIBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3S/c1-3-10-8-11(14(17)20-10)15-18-12-7-9(16)5-6-13(12)19(15)4-2/h5-8H,3-4,17H2,1-2H3.
What are the key properties of 3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine?
3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine has a molecular weight of 350.29 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine is sourced from PubChem (CID 63614505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).