N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide

C22H24N4O2 — CID 167978506

IUPACN'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESCCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H24N4O2/c1-2-20-23-18-9-5-6-10-19(18)26(20)14-21(27)24-25-22(28)17-12-11-15-7-3-4-8-16(15)13-17/h5-6,9-13H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyQFXRQTAYFBEDMS-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.94
Rot. Bonds4

About N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide

N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (PubChem CID 167978506) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
PubChem CID167978506
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESCCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H24N4O2/c1-2-20-23-18-9-5-6-10-19(18)26(20)14-21(27)24-25-22(28)17-12-11-15-7-3-4-8-16(15)13-17/h5-6,9-13H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyQFXRQTAYFBEDMS-UHFFFAOYSA-N
XLogP2.94
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 27709932
1-(3,5-dimethylphenyl)-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]thiourea
CID 40696855
N-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide
CID 55782666
(2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide
CID 99805786
3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide
CID 24583651
N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 42160417
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
2-(2-ethylbenzimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115572979
2-(2-ethylbenzimidazol-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 26286960
N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 25373374
2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824376
(2S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366771

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The IUPAC name of N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (CID 167978506) is N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The InChIKey is QFXRQTAYFBEDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-20-23-18-9-5-6-10-19(18)26(20)14-21(27)24-25-22(28)17-12-11-15-7-3-4-8-16(15)13-17/h5-6,9-13H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide has a molecular weight of 376.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is sourced from PubChem (CID 167978506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).