2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide

C16H15N5O — CID 5082935

IUPAC2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide
SMILESC=C(NNC(=O)Cn1cnc2ccccc21)c1cccnc1
InChIInChI=1S/C16H15N5O/c1-12(13-5-4-8-17-9-13)19-20-16(22)10-21-11-18-14-6-2-3-7-15(14)21/h2-9,11,19H,1,10H2,(H,20,22)
InChIKeyLWZXDUPXZRTQCJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.72
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide

2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide (PubChem CID 5082935) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide
PubChem CID5082935
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide
SMILESC=C(NNC(=O)Cn1cnc2ccccc21)c1cccnc1
InChIInChI=1S/C16H15N5O/c1-12(13-5-4-8-17-9-13)19-20-16(22)10-21-11-18-14-6-2-3-7-15(14)21/h2-9,11,19H,1,10H2,(H,20,22)
InChIKeyLWZXDUPXZRTQCJ-UHFFFAOYSA-N
XLogP1.72
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide
CID 55704344
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CID 65315452
2-(benzimidazol-1-yl)-N-propylacetamide
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2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 119100870
4-(benzimidazol-1-yl)-3-oxobutanenitrile
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4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105098775
1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one
CID 105107550
2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
CID 17086275
2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide
CID 8823013
1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(3-methoxyphenyl)thiourea
CID 8659494
1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(2,3-dimethylphenyl)thiourea
CID 8659501

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide?
The IUPAC name of 2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide (CID 5082935) is 2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide is C=C(NNC(=O)Cn1cnc2ccccc21)c1cccnc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide?
The InChIKey is LWZXDUPXZRTQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-12(13-5-4-8-17-9-13)19-20-16(22)10-21-11-18-14-6-2-3-7-15(14)21/h2-9,11,19H,1,10H2,(H,20,22).
What are the key properties of 2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide?
2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide has a molecular weight of 293.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide is sourced from PubChem (CID 5082935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).