2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine

C16H14N4O — CID 79881622

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine
SMILESCc1cc2ncn(-c3nc4cc(N)ccc4o3)c2cc1C
InChIInChI=1S/C16H14N4O/c1-9-5-12-14(6-10(9)2)20(8-18-12)16-19-13-7-11(17)3-4-15(13)21-16/h3-8H,17H2,1-2H3
InChIKeyBFLWZPRTMCYDLE-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.37
Rot. Bonds1

About 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine

2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine (PubChem CID 79881622) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine
PubChem CID79881622
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine
SMILESCc1cc2ncn(-c3nc4cc(N)ccc4o3)c2cc1C
InChIInChI=1S/C16H14N4O/c1-9-5-12-14(6-10(9)2)20(8-18-12)16-19-13-7-11(17)3-4-15(13)21-16/h3-8H,17H2,1-2H3
InChIKeyBFLWZPRTMCYDLE-UHFFFAOYSA-N
XLogP3.37
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine
CID 79883035
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-benzoxazol-5-amine
CID 79891210
2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine
CID 82692189
3-(difluoromethyl)-4-(5,6-dimethylbenzimidazol-1-yl)aniline
CID 63735663
1-(3,5-dimethylphenyl)benzimidazol-5-amine
CID 62508491
2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635
4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine
CID 112726059
2-(4,4-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890886
1-[3,5-bis(5,6-dimethylbenzimidazol-1-yl)-2,4,6-trimethylphenyl]-5,6-dimethylbenzimidazole
CID 122202423
6-(5,6-dimethylbenzimidazol-1-yl)pyrazin-2-amine
CID 80647713
2-(5,6-dimethylbenzimidazol-1-yl)quinoline
CID 17411926
2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890054

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine (CID 79881622) is 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine is Cc1cc2ncn(-c3nc4cc(N)ccc4o3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine?
The InChIKey is BFLWZPRTMCYDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-9-5-12-14(6-10(9)2)20(8-18-12)16-19-13-7-11(17)3-4-15(13)21-16/h3-8H,17H2,1-2H3.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine?
2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine has a molecular weight of 278.31 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79881622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).