2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine

C15H19N5O — CID 106396239

IUPAC2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCCn1c(CNCCc2ncon2)nc2ccccc21
InChIInChI=1S/C15H19N5O/c1-2-9-20-13-6-4-3-5-12(13)18-15(20)10-16-8-7-14-17-11-21-19-14/h3-6,11,16H,2,7-10H2,1H3
InChIKeyNAOGAQOACBZCOH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.16
Rot. Bonds7

About 2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine

2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine (PubChem CID 106396239) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
PubChem CID106396239
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCCn1c(CNCCc2ncon2)nc2ccccc21
InChIInChI=1S/C15H19N5O/c1-2-9-20-13-6-4-3-5-12(13)18-15(20)10-16-8-7-14-17-11-21-19-14/h3-6,11,16H,2,7-10H2,1H3
InChIKeyNAOGAQOACBZCOH-UHFFFAOYSA-N
XLogP2.16
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine
CID 134084304
2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 61034574
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 61019367
N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 61019366
1-(1-propylbenzimidazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 119137523
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine
CID 119137495
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
3-(4-benzylpiperazin-1-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
CID 112844244
3-[[2-(chloromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106406922

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine (CID 106396239) is 2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine is CCCn1c(CNCCc2ncon2)nc2ccccc21.
What is the InChIKey of 2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine?
The InChIKey is NAOGAQOACBZCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-9-20-13-6-4-3-5-12(13)18-15(20)10-16-8-7-14-17-11-21-19-14/h3-6,11,16H,2,7-10H2,1H3.
What are the key properties of 2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine?
2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine has a molecular weight of 285.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 106396239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).