6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine

C18H17N5O — CID 177247507

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine
SMILESCc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccn3)c2c1
InChIInChI=1S/C18H17N5O/c1-11-17(12(2)24-22-11)13-7-15(19)18-16(8-13)23(10-21-18)9-14-5-3-4-6-20-14/h3-8,10H,9,19H2,1-2H3
InChIKeyYGJWKKRVJCVELI-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.33
Rot. Bonds3

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine (PubChem CID 177247507) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine
PubChem CID177247507
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine
SMILESCc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccn3)c2c1
InChIInChI=1S/C18H17N5O/c1-11-17(12(2)24-22-11)13-7-15(19)18-16(8-13)23(10-21-18)9-14-5-3-4-6-20-14/h3-8,10H,9,19H2,1-2H3
InChIKeyYGJWKKRVJCVELI-UHFFFAOYSA-N
XLogP3.33
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide
CID 171637966
2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-methyliodanuidylacetamide
CID 171638163
4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 130278052
3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole
CID 177247578
1-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylbenzimidazol-4-amine
CID 177247563
4-[3-iodo-1-(pyridazin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 118060170
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118232448
8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 135203476
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118232414
4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 156790239
1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine
CID 121375838
4-(1-benzylpyrazolo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 121375892

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine (CID 177247507) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine is Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccn3)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine?
The InChIKey is YGJWKKRVJCVELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-11-17(12(2)24-22-11)13-7-15(19)18-16(8-13)23(10-21-18)9-14-5-3-4-6-20-14/h3-8,10H,9,19H2,1-2H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine has a molecular weight of 319.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine is sourced from PubChem (CID 177247507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).