3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine

C12H13N5O — CID 67208023

IUPAC3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine
SMILESC=CCn1c(N2NOC=C2N)nc2ccccc21
InChIInChI=1S/C12H13N5O/c1-2-7-16-10-6-4-3-5-9(10)14-12(16)17-11(13)8-18-15-17/h2-6,8,15H,1,7,13H2
InChIKeyLTRMPPMXWMAPMZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.24
Rot. Bonds3

About 3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine

3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine (PubChem CID 67208023) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine.

Molecular Properties

Compound Name3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine
PubChem CID67208023
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine
SMILESC=CCn1c(N2NOC=C2N)nc2ccccc21
InChIInChI=1S/C12H13N5O/c1-2-7-16-10-6-4-3-5-9(10)14-12(16)17-11(13)8-18-15-17/h2-6,8,15H,1,7,13H2
InChIKeyLTRMPPMXWMAPMZ-UHFFFAOYSA-N
XLogP1.24
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(1-prop-2-enylbenzimidazol-2-yl)morpholine
CID 828615
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2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
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2-(2-methylprop-2-enylsulfanyl)-1-prop-2-enylbenzimidazole
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2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43220154
N-methyl-1-(1-prop-2-enylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 122236315
3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one
CID 163564919
3-phenyl-1-prop-2-enylquinoxalin-2-one
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2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
CID 3162026
2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole
CID 84571434

Frequently Asked Questions

What is the IUPAC name of 3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine?
The IUPAC name of 3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine (CID 67208023) is 3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine.
What is the SMILES notation for 3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine?
The canonical SMILES for 3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine is C=CCn1c(N2NOC=C2N)nc2ccccc21.
What is the InChIKey of 3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine?
The InChIKey is LTRMPPMXWMAPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-2-7-16-10-6-4-3-5-9(10)14-12(16)17-11(13)8-18-15-17/h2-6,8,15H,1,7,13H2.
What are the key properties of 3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine?
3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine has a molecular weight of 243.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-prop-2-enylbenzimidazol-2-yl)-2H-oxadiazol-4-amine is sourced from PubChem (CID 67208023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).