1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine

C16H20N4S — CID 62507585

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C(C)c1sc(C)nc1C
InChIInChI=1S/C16H20N4S/c1-5-15-19-13-8-12(17)6-7-14(13)20(15)10(3)16-9(2)18-11(4)21-16/h6-8,10H,5,17H2,1-4H3
InChIKeyDXFRMSJUFRWFDK-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.86
Rot. Bonds3

About 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine (PubChem CID 62507585) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine
PubChem CID62507585
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C(C)c1sc(C)nc1C
InChIInChI=1S/C16H20N4S/c1-5-15-19-13-8-12(17)6-7-14(13)20(15)10(3)16-9(2)18-11(4)21-16/h6-8,10H,5,17H2,1-4H3
InChIKeyDXFRMSJUFRWFDK-UHFFFAOYSA-N
XLogP3.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine (CID 62507585) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine is CCc1nc2cc(N)ccc2n1C(C)c1sc(C)nc1C.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine?
The InChIKey is DXFRMSJUFRWFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-5-15-19-13-8-12(17)6-7-14(13)20(15)10(3)16-9(2)18-11(4)21-16/h6-8,10H,5,17H2,1-4H3.
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine has a molecular weight of 300.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine is sourced from PubChem (CID 62507585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).