2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole

C19H21N3O — CID 91410269

IUPAC2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole
SMILESCc1ccc2c(c1)nc(C)n2C.Cc1ccc2oc(C)nc2c1
InChIInChI=1S/C10H12N2.C9H9NO/c1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-6-3-4-9-8(5-6)10-7(2)11-9/h4-6H,1-3H3;3-5H,1-2H3
InChIKeyNBCPECQAMNXKSQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.63
Rot. Bonds

About 2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole

2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole (PubChem CID 91410269) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole.

Molecular Properties

Compound Name2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole
PubChem CID91410269
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole
SMILESCc1ccc2c(c1)nc(C)n2C.Cc1ccc2oc(C)nc2c1
InChIInChI=1S/C10H12N2.C9H9NO/c1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-6-3-4-9-8(5-6)10-7(2)11-9/h4-6H,1-3H3;3-5H,1-2H3
InChIKeyNBCPECQAMNXKSQ-UHFFFAOYSA-N
XLogP4.63
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 20610489
2-(1,2-dimethylbenzimidazol-5-yl)ethynyl-trimethylsilane
CID 162381740
1,2-dimethylbenzimidazole-5-thiol
CID 83529809
1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
CID 82493454
lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate
CID 159145019
2-(methoxymethyl)-5-methyl-1,3-benzoxazole
CID 123289847
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 133480272
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
2-methyl-1,3-benzoxazole-5-thiol
CID 83529189
amino-(1,2-dimethylbenzimidazol-5-yl)methanol
CID 116939675

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole?
The IUPAC name of 2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole (CID 91410269) is 2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole.
What is the SMILES notation for 2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole?
The canonical SMILES for 2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole is Cc1ccc2c(c1)nc(C)n2C.Cc1ccc2oc(C)nc2c1.
What is the InChIKey of 2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole?
The InChIKey is NBCPECQAMNXKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C9H9NO/c1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-6-3-4-9-8(5-6)10-7(2)11-9/h4-6H,1-3H3;3-5H,1-2H3.
What are the key properties of 2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole?
2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole has a molecular weight of 307.40 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole is sourced from PubChem (CID 91410269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).