2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine

C13H14N4S — CID 55079804

IUPAC2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1Cc1nccs1
InChIInChI=1S/C13H14N4S/c1-2-12-16-10-7-9(14)3-4-11(10)17(12)8-13-15-5-6-18-13/h3-7H,2,8,14H2,1H3
InChIKeyJDQDHBIUQXXNPH-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.69
Rot. Bonds3

About 2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine

2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine (PubChem CID 55079804) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine
PubChem CID55079804
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1Cc1nccs1
InChIInChI=1S/C13H14N4S/c1-2-12-16-10-7-9(14)3-4-11(10)17(12)8-13-15-5-6-18-13/h3-7H,2,8,14H2,1H3
InChIKeyJDQDHBIUQXXNPH-UHFFFAOYSA-N
XLogP2.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine
CID 55175058
2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 55079755
5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine
CID 54964595
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine
CID 106408016
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
CID 63498106
2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol
CID 106254051
1-[(3-chlorophenyl)methyl]-2-ethylbenzimidazol-5-amine
CID 62533807
1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
CID 63239906
2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
CID 79550091
2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 115471283
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine (CID 55079804) is 2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1Cc1nccs1.
What is the InChIKey of 2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine?
The InChIKey is JDQDHBIUQXXNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-2-12-16-10-7-9(14)3-4-11(10)17(12)8-13-15-5-6-18-13/h3-7H,2,8,14H2,1H3.
What are the key properties of 2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine?
2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine has a molecular weight of 258.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 55079804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).