4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine

C12H12N4O — CID 106419832

IUPAC4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
SMILESCc1cccc2c1nc(N)n2Cc1ccno1
InChIInChI=1S/C12H12N4O/c1-8-3-2-4-10-11(8)15-12(13)16(10)7-9-5-6-14-17-9/h2-6H,7H2,1H3,(H2,13,15)
InChIKeyJXRSXAASRSLOEC-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.96
Rot. Bonds2

About 4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine

4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine (PubChem CID 106419832) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
PubChem CID106419832
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
SMILESCc1cccc2c1nc(N)n2Cc1ccno1
InChIInChI=1S/C12H12N4O/c1-8-3-2-4-10-11(8)15-12(13)16(10)7-9-5-6-14-17-9/h2-6H,7H2,1H3,(H2,13,15)
InChIKeyJXRSXAASRSLOEC-UHFFFAOYSA-N
XLogP1.96
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419843
5-fluoro-6-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419797
4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406197
1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine
CID 114041636
5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 114186520
1,4-dimethylbenzimidazol-2-amine;dihydrochloride
CID 174932005
4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406056
4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine
CID 114041695
4-methyl-1-(4-methylsulfanylbutyl)benzimidazol-2-amine
CID 114041696
2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 106420804
5-[[2-(chloromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420447
4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 104837059

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine (CID 106419832) is 4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine is Cc1cccc2c1nc(N)n2Cc1ccno1.
What is the InChIKey of 4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The InChIKey is JXRSXAASRSLOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-3-2-4-10-11(8)15-12(13)16(10)7-9-5-6-14-17-9/h2-6H,7H2,1H3,(H2,13,15).
What are the key properties of 4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine has a molecular weight of 228.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 106419832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).