2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine

C13H15N5O — CID 106408016

IUPAC2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1Cc1noc(C)n1
InChIInChI=1S/C13H15N5O/c1-3-13-16-10-6-9(14)4-5-11(10)18(13)7-12-15-8(2)19-17-12/h4-6H,3,7,14H2,1-2H3
InChIKeyZVJWTFWXZCACGF-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.92
Rot. Bonds3

About 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine

2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine (PubChem CID 106408016) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine
PubChem CID106408016
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1Cc1noc(C)n1
InChIInChI=1S/C13H15N5O/c1-3-13-16-10-6-9(14)4-5-11(10)18(13)7-12-15-8(2)19-17-12/h4-6H,3,7,14H2,1-2H3
InChIKeyZVJWTFWXZCACGF-UHFFFAOYSA-N
XLogP1.92
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 106406837
2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine
CID 55079804
2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine
CID 55175058
1-[(3-chlorophenyl)methyl]-2-ethylbenzimidazol-5-amine
CID 62533807
2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 55079755
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
2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 55080127
5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106419713
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
CID 79550091
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine (CID 106408016) is 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1Cc1noc(C)n1.
What is the InChIKey of 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine?
The InChIKey is ZVJWTFWXZCACGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-3-13-16-10-6-9(14)4-5-11(10)18(13)7-12-15-8(2)19-17-12/h4-6H,3,7,14H2,1-2H3.
What are the key properties of 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine?
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine has a molecular weight of 257.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 106408016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).