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

C17H15N5O — CID 571349

IUPAC4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1
InChIInChI=1S/C17H15N5O/c1-11-6-8-12(9-7-11)10-22-14-5-3-2-4-13(14)19-17(22)15-16(18)21-23-20-15/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyITWVPIOKFJWICI-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.03
Rot. Bonds3

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

4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 571349) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID571349
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1
InChIInChI=1S/C17H15N5O/c1-11-6-8-12(9-7-11)10-22-14-5-3-2-4-13(14)19-17(22)15-16(18)21-23-20-15/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyITWVPIOKFJWICI-UHFFFAOYSA-N
XLogP3.03
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 571349) is 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is Cc1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1.
What is the InChIKey of 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is ITWVPIOKFJWICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-6-8-12(9-7-11)10-22-14-5-3-2-4-13(14)19-17(22)15-16(18)21-23-20-15/h2-9H,10H2,1H3,(H2,18,21).
What are the key properties of 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 305.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 571349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).