5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole

C11H9N3O — CID 135995577

IUPAC5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2nc3ccccc3[nH]2)on1
InChIInChI=1S/C11H9N3O/c1-7-6-10(15-14-7)11-12-8-4-2-3-5-9(8)13-11/h2-6H,1H3,(H,12,13)
InChIKeyHBBYBOIQLKEJTI-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.53
Rot. Bonds1

About 5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole

5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole (PubChem CID 135995577) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole
PubChem CID135995577
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2nc3ccccc3[nH]2)on1
InChIInChI=1S/C11H9N3O/c1-7-6-10(15-14-7)11-12-8-4-2-3-5-9(8)13-11/h2-6H,1H3,(H,12,13)
InChIKeyHBBYBOIQLKEJTI-UHFFFAOYSA-N
XLogP2.53
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole
CID 135538073
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
2-(furan-2-yl)-1H-benzimidazole;hydrochloride
CID 163330035
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole
CID 168553508
2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360
4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline
CID 121004860
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
2-(1-methylimidazol-2-yl)-1H-benzimidazole
CID 20807349
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole (CID 135995577) is 5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole is Cc1cc(-c2nc3ccccc3[nH]2)on1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole?
The InChIKey is HBBYBOIQLKEJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-7-6-10(15-14-7)11-12-8-4-2-3-5-9(8)13-11/h2-6H,1H3,(H,12,13).
What are the key properties of 5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole?
5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole has a molecular weight of 199.21 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 135995577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).