6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine

C16H14N6O — CID 121293154

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine
SMILESCc1noc(C)c1-c1cc(Nc2ncccn2)c2nc[nH]c2c1
InChIInChI=1S/C16H14N6O/c1-9-14(10(2)23-22-9)11-6-12-15(20-8-19-12)13(7-11)21-16-17-4-3-5-18-16/h3-8H,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyBLDNCYSQIVFWHK-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.37
Rot. Bonds3

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine (PubChem CID 121293154) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine
PubChem CID121293154
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine
SMILESCc1noc(C)c1-c1cc(Nc2ncccn2)c2nc[nH]c2c1
InChIInChI=1S/C16H14N6O/c1-9-14(10(2)23-22-9)11-6-12-15(20-8-19-12)13(7-11)21-16-17-4-3-5-18-16/h3-8H,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyBLDNCYSQIVFWHK-UHFFFAOYSA-N
XLogP3.37
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121293033
4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 121293042
3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole
CID 121293088
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
CID 135755223
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine
CID 166661322
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-pyridin-2-one
CID 121379046
methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate
CID 122688323
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
CID 121293110
3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole
CID 22477524
4-(1H-indazol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 118937091
5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 153465809
1-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylbenzimidazol-4-amine
CID 177247563

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine (CID 121293154) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine is Cc1noc(C)c1-c1cc(Nc2ncccn2)c2nc[nH]c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine?
The InChIKey is BLDNCYSQIVFWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-9-14(10(2)23-22-9)11-6-12-15(20-8-19-12)13(7-11)21-16-17-4-3-5-18-16/h3-8H,1-2H3,(H,19,20)(H,17,18,21).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine has a molecular weight of 306.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 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)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine is sourced from PubChem (CID 121293154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).