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

C13H13N5O — CID 607858

IUPAC4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1CC1CC1
InChIInChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-3-1-2-4-10(9)18(13)7-8-5-6-8/h1-4,8H,5-7H2,(H2,14,17)
InChIKeyLLDVRUBUBPSOMY-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.08
Rot. Bonds3

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

4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 607858) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID607858
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1CC1CC1
InChIInChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-3-1-2-4-10(9)18(13)7-8-5-6-8/h1-4,8H,5-7H2,(H2,14,17)
InChIKeyLLDVRUBUBPSOMY-UHFFFAOYSA-N
XLogP2.08
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 607858) is 4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2ccccc2n1CC1CC1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is LLDVRUBUBPSOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-3-1-2-4-10(9)18(13)7-8-5-6-8/h1-4,8H,5-7H2,(H2,14,17).
What are the key properties of 4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 255.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 607858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).