2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole

C19H22N4O — CID 159180645

IUPAC2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole
SMILESCc1ccc2nc(C)n(C)c2c1.Cc1nc2ccc(O)cc2n1C
InChIInChI=1S/C10H12N2.C9H10N2O/c1-7-4-5-9-10(6-7)12(3)8(2)11-9;1-6-10-8-4-3-7(12)5-9(8)11(6)2/h4-6H,1-3H3;3-5,12H,1-2H3
InChIKeyKMVMXKZEPGCELH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.78
Rot. Bonds

About 2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole

2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole (PubChem CID 159180645) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole.

Molecular Properties

Compound Name2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole
PubChem CID159180645
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole
SMILESCc1ccc2nc(C)n(C)c2c1.Cc1nc2ccc(O)cc2n1C
InChIInChI=1S/C10H12N2.C9H10N2O/c1-7-4-5-9-10(6-7)12(3)8(2)11-9;1-6-10-8-4-3-7(12)5-9(8)11(6)2/h4-6H,1-3H3;3-5,12H,1-2H3
InChIKeyKMVMXKZEPGCELH-UHFFFAOYSA-N
XLogP3.78
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(4-methylphenyl)benzimidazol-5-ol
CID 84700718
1-hydroxy-2,6-dimethylbenzimidazole
CID 45077894
6-bromo-1,2-dimethylbenzimidazole
CID 58109509
6-tert-butyl-1,2-dimethylbenzimidazole
CID 70331345
1-(1,6-dimethylbenzimidazol-2-yl)ethanone
CID 83857929
7-methylphenazin-2-ol
CID 135430298
3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid
CID 6494984
1,2-dimethylbenzimidazole;formaldehyde;methanol
CID 90743807
ethane;2,3,6-trimethylbenzimidazol-5-ol
CID 168977189
1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one
CID 83857936
4-(2-amino-6-methylbenzimidazol-1-yl)phenol
CID 84799602
3-chloro-1,7-dimethylquinoxalin-2-one
CID 13437029

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole?
The IUPAC name of 2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole (CID 159180645) is 2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole.
What is the SMILES notation for 2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole?
The canonical SMILES for 2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole is Cc1ccc2nc(C)n(C)c2c1.Cc1nc2ccc(O)cc2n1C.
What is the InChIKey of 2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole?
The InChIKey is KMVMXKZEPGCELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C9H10N2O/c1-7-4-5-9-10(6-7)12(3)8(2)11-9;1-6-10-8-4-3-7(12)5-9(8)11(6)2/h4-6H,1-3H3;3-5,12H,1-2H3.
What are the key properties of 2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole?
2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole has a molecular weight of 322.41 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole is sourced from PubChem (CID 159180645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).