1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole

C12H13N5 — CID 154743164

IUPAC1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole
SMILESCc1ccc2c(c1)nc(-c1cn(C)nn1)n2C
InChIInChI=1S/C12H13N5/c1-8-4-5-11-9(6-8)13-12(17(11)3)10-7-16(2)15-14-10/h4-7H,1-3H3
InChIKeyOHYQGVSGJVTJHD-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.68
Rot. Bonds1

About 1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole

1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole (PubChem CID 154743164) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole.

Molecular Properties

Compound Name1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole
PubChem CID154743164
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole
SMILESCc1ccc2c(c1)nc(-c1cn(C)nn1)n2C
InChIInChI=1S/C12H13N5/c1-8-4-5-11-9(6-8)13-12(17(11)3)10-7-16(2)15-14-10/h4-7H,1-3H3
InChIKeyOHYQGVSGJVTJHD-UHFFFAOYSA-N
XLogP1.68
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole
CID 47273036
2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline
CID 54920098
1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile
CID 112735729
2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
CID 82333350
2-(1,5-dimethylbenzimidazol-2-yl)thiophen-3-amine
CID 60785137
5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole
CID 91644628
3-(1,5-dimethylbenzimidazol-2-yl)-2,3-dimethylbutan-2-amine
CID 65261513
1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole
CID 86176828
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104557786
1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole
CID 53251289
2-[3-(2-fluoroethylsulfanyl)-4-pyridinyl]-1,5-dimethylbenzimidazole
CID 58056769

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole?
The IUPAC name of 1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole (CID 154743164) is 1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole.
What is the SMILES notation for 1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole?
The canonical SMILES for 1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole is Cc1ccc2c(c1)nc(-c1cn(C)nn1)n2C.
What is the InChIKey of 1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole?
The InChIKey is OHYQGVSGJVTJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-8-4-5-11-9(6-8)13-12(17(11)3)10-7-16(2)15-14-10/h4-7H,1-3H3.
What are the key properties of 1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole?
1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole has a molecular weight of 227.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole is sourced from PubChem (CID 154743164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).