2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide

C19H18N6O2 — CID 91794127

IUPAC2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccccc1-n1nc(CC(N)=O)nc1Cn1cnc2ccccc21
InChIInChI=1S/C19H18N6O2/c1-27-16-9-5-4-8-15(16)25-19(22-18(23-25)10-17(20)26)11-24-12-21-13-6-2-3-7-14(13)24/h2-9,12H,10-11H2,1H3,(H2,20,26)
InChIKeyICZOSFSULAULFU-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.70
Rot. Bonds6

About 2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide

2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 91794127) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID91794127
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccccc1-n1nc(CC(N)=O)nc1Cn1cnc2ccccc21
InChIInChI=1S/C19H18N6O2/c1-27-16-9-5-4-8-15(16)25-19(22-18(23-25)10-17(20)26)11-24-12-21-13-6-2-3-7-14(13)24/h2-9,12H,10-11H2,1H3,(H2,20,26)
InChIKeyICZOSFSULAULFU-UHFFFAOYSA-N
XLogP1.70
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide (CID 91794127) is 2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide is COc1ccccc1-n1nc(CC(N)=O)nc1Cn1cnc2ccccc21.
What is the InChIKey of 2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is ICZOSFSULAULFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-27-16-9-5-4-8-15(16)25-19(22-18(23-25)10-17(20)26)11-24-12-21-13-6-2-3-7-14(13)24/h2-9,12H,10-11H2,1H3,(H2,20,26).
What are the key properties of 2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide?
2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(benzimidazol-1-ylmethyl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 91794127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).