1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine

C14H17N5O — CID 62508411

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine
SMILESCc1noc(Cn2c(C(C)C)nc3cc(N)ccc32)n1
InChIInChI=1S/C14H17N5O/c1-8(2)14-17-11-6-10(15)4-5-12(11)19(14)7-13-16-9(3)18-20-13/h4-6,8H,7,15H2,1-3H3
InChIKeyGAHMHFHDOHELTE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.48
Rot. Bonds3

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

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 62508411) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine
PubChem CID62508411
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine
SMILESCc1noc(Cn2c(C(C)C)nc3cc(N)ccc32)n1
InChIInChI=1S/C14H17N5O/c1-8(2)14-17-11-6-10(15)4-5-12(11)19(14)7-13-16-9(3)18-20-13/h4-6,8H,7,15H2,1-3H3
InChIKeyGAHMHFHDOHELTE-UHFFFAOYSA-N
XLogP2.48
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine (CID 62508411) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine is Cc1noc(Cn2c(C(C)C)nc3cc(N)ccc32)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is GAHMHFHDOHELTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-8(2)14-17-11-6-10(15)4-5-12(11)19(14)7-13-16-9(3)18-20-13/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 271.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 62508411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).