N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide

C18H23N5O2 — CID 16676035

IUPACN-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide
SMILESCN(C(=O)Cn1nc2n(C)c3ccccc3n2c1=O)C1CCCCC1
InChIInChI=1S/C18H23N5O2/c1-20(13-8-4-3-5-9-13)16(24)12-22-18(25)23-15-11-7-6-10-14(15)21(2)17(23)19-22/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyDFOHHWXIAQALDC-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.78
Rot. Bonds3

About N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide

N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide (PubChem CID 16676035) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide
PubChem CID16676035
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide
SMILESCN(C(=O)Cn1nc2n(C)c3ccccc3n2c1=O)C1CCCCC1
InChIInChI=1S/C18H23N5O2/c1-20(13-8-4-3-5-9-13)16(24)12-22-18(25)23-15-11-7-6-10-14(15)21(2)17(23)19-22/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyDFOHHWXIAQALDC-UHFFFAOYSA-N
XLogP1.78
TPSA64.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide (CID 16676035) is N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide is CN(C(=O)Cn1nc2n(C)c3ccccc3n2c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide?
The InChIKey is DFOHHWXIAQALDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-20(13-8-4-3-5-9-13)16(24)12-22-18(25)23-15-11-7-6-10-14(15)21(2)17(23)19-22/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide?
N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide is sourced from PubChem (CID 16676035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).