2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine

C14H17N5O — CID 138000367

IUPAC2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nc(Cn2cnc3ccccc32)no1
InChIInChI=1S/C14H17N5O/c1-14(2,8-15)13-17-12(18-20-13)7-19-9-16-10-5-3-4-6-11(10)19/h3-6,9H,7-8,15H2,1-2H3
InChIKeyDAUKSDMCCNNHQR-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.70
Rot. Bonds4

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

2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (PubChem CID 138000367) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
PubChem CID138000367
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nc(Cn2cnc3ccccc32)no1
InChIInChI=1S/C14H17N5O/c1-14(2,8-15)13-17-12(18-20-13)7-19-9-16-10-5-3-4-6-11(10)19/h3-6,9H,7-8,15H2,1-2H3
InChIKeyDAUKSDMCCNNHQR-UHFFFAOYSA-N
XLogP1.70
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (CID 138000367) is 2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is CC(C)(CN)c1nc(Cn2cnc3ccccc32)no1.
What is the InChIKey of 2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The InChIKey is DAUKSDMCCNNHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-14(2,8-15)13-17-12(18-20-13)7-19-9-16-10-5-3-4-6-11(10)19/h3-6,9H,7-8,15H2,1-2H3.
What are the key properties of 2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine has a molecular weight of 271.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 138000367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).