2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide

C17H16N8O2 — CID 119060951

IUPAC2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
SMILESO=C(COCc1nc2ccccc2[nH]1)NCc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C17H16N8O2/c26-16(10-27-9-15-21-11-3-1-2-4-12(11)22-15)20-8-14-23-17(25-24-14)13-7-18-5-6-19-13/h1-7H,8-10H2,(H,20,26)(H,21,22)(H,23,24,25)
InChIKeyAOOFVUXESJGDGM-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.97
Rot. Bonds7

About 2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide

2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide (PubChem CID 119060951) has the molecular formula C17H16N8O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
PubChem CID119060951
Molecular FormulaC17H16N8O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
SMILESO=C(COCc1nc2ccccc2[nH]1)NCc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C17H16N8O2/c26-16(10-27-9-15-21-11-3-1-2-4-12(11)22-15)20-8-14-23-17(25-24-14)13-7-18-5-6-19-13/h1-7H,8-10H2,(H,20,26)(H,21,22)(H,23,24,25)
InChIKeyAOOFVUXESJGDGM-UHFFFAOYSA-N
XLogP0.97
TPSA134.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(2S)-oxan-2-yl]methoxy]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 99972011
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CID 86284175
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CID 90649648
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CID 119060332
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
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N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide
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N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
ethyl 4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 21008849
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 43833009
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide (CID 119060951) is 2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide is O=C(COCc1nc2ccccc2[nH]1)NCc1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The InChIKey is AOOFVUXESJGDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O2/c26-16(10-27-9-15-21-11-3-1-2-4-12(11)22-15)20-8-14-23-17(25-24-14)13-7-18-5-6-19-13/h1-7H,8-10H2,(H,20,26)(H,21,22)(H,23,24,25).
What are the key properties of 2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide has a molecular weight of 364.37 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide is sourced from PubChem (CID 119060951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).