4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one

C19H20N4O3 — CID 16676028

IUPAC4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
SMILESCOCCn1c2ccccc2n2c(=O)n(Cc3ccc(OC)cc3)nc12
InChIInChI=1S/C19H20N4O3/c1-25-12-11-21-16-5-3-4-6-17(16)23-18(21)20-22(19(23)24)13-14-7-9-15(26-2)10-8-14/h3-10H,11-13H2,1-2H3
InChIKeyXCGLQRJZUORWGY-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.15
Rot. Bonds6

About 4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one

4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one (PubChem CID 16676028) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
PubChem CID16676028
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
SMILESCOCCn1c2ccccc2n2c(=O)n(Cc3ccc(OC)cc3)nc12
InChIInChI=1S/C19H20N4O3/c1-25-12-11-21-16-5-3-4-6-17(16)23-18(21)20-22(19(23)24)13-14-7-9-15(26-2)10-8-14/h3-10H,11-13H2,1-2H3
InChIKeyXCGLQRJZUORWGY-UHFFFAOYSA-N
XLogP2.15
TPSA62.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one?
The IUPAC name of 4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one (CID 16676028) is 4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one.
What is the SMILES notation for 4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one?
The canonical SMILES for 4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one is COCCn1c2ccccc2n2c(=O)n(Cc3ccc(OC)cc3)nc12.
What is the InChIKey of 4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one?
The InChIKey is XCGLQRJZUORWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-12-11-21-16-5-3-4-6-17(16)23-18(21)20-22(19(23)24)13-14-7-9-15(26-2)10-8-14/h3-10H,11-13H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one?
4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one has a molecular weight of 352.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one is sourced from PubChem (CID 16676028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).