2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine

C16H19N3S — CID 62843355

IUPAC2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1C(C)c1ccsc1
InChIInChI=1S/C16H19N3S/c1-10(2)16-18-14-8-13(17)4-5-15(14)19(16)11(3)12-6-7-20-9-12/h4-11H,17H2,1-3H3
InChIKeyOVGLROMPULHKOZ-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.41
Rot. Bonds3

About 2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine

2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine (PubChem CID 62843355) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine
PubChem CID62843355
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1C(C)c1ccsc1
InChIInChI=1S/C16H19N3S/c1-10(2)16-18-14-8-13(17)4-5-15(14)19(16)11(3)12-6-7-20-9-12/h4-11H,17H2,1-3H3
InChIKeyOVGLROMPULHKOZ-UHFFFAOYSA-N
XLogP4.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
CID 62843687
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352
1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502089
1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62506902
1-(1-methoxypropan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507197
1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 63498284
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole
CID 62843335
1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol
CID 62595651
2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
CID 103113457
2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
CID 62993400
5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine
CID 94347044

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine?
The IUPAC name of 2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine (CID 62843355) is 2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine?
The canonical SMILES for 2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine is CC(C)c1nc2cc(N)ccc2n1C(C)c1ccsc1.
What is the InChIKey of 2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine?
The InChIKey is OVGLROMPULHKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-10(2)16-18-14-8-13(17)4-5-15(14)19(16)11(3)12-6-7-20-9-12/h4-11H,17H2,1-3H3.
What are the key properties of 2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine?
2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine has a molecular weight of 285.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine is sourced from PubChem (CID 62843355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).