3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one

C23H28N6O — CID 155272641

IUPAC3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one
SMILESCc1cc2c(cc1-c1cc(C)c3ncnn3c1)[nH]c(=O)n2C1CCC(N(C)C)CC1
InChIInChI=1S/C23H28N6O/c1-14-10-21-20(11-19(14)16-9-15(2)22-24-13-25-28(22)12-16)26-23(30)29(21)18-7-5-17(6-8-18)27(3)4/h9-13,17-18H,5-8H2,1-4H3,(H,26,30)
InChIKeySZDJCSJVPUNHLU-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.70
Rot. Bonds3

About 3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one

3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one (PubChem CID 155272641) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one
PubChem CID155272641
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one
SMILESCc1cc2c(cc1-c1cc(C)c3ncnn3c1)[nH]c(=O)n2C1CCC(N(C)C)CC1
InChIInChI=1S/C23H28N6O/c1-14-10-21-20(11-19(14)16-9-15(2)22-24-13-25-28(22)12-16)26-23(30)29(21)18-7-5-17(6-8-18)27(3)4/h9-13,17-18H,5-8H2,1-4H3,(H,26,30)
InChIKeySZDJCSJVPUNHLU-UHFFFAOYSA-N
XLogP3.70
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one (CID 155272641) is 3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one is Cc1cc2c(cc1-c1cc(C)c3ncnn3c1)[nH]c(=O)n2C1CCC(N(C)C)CC1.
What is the InChIKey of 3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one?
The InChIKey is SZDJCSJVPUNHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-14-10-21-20(11-19(14)16-9-15(2)22-24-13-25-28(22)12-16)26-23(30)29(21)18-7-5-17(6-8-18)27(3)4/h9-13,17-18H,5-8H2,1-4H3,(H,26,30).
What are the key properties of 3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one?
3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one has a molecular weight of 404.52 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)cyclohexyl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 155272641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).