N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide

C26H24N8O2 — CID 27709932

IUPACN'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
SMILESCCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H24N8O2/c1-2-23-27-21-10-6-7-11-22(21)33(23)17-24(35)28-30-26(36)20-14-12-18(13-15-20)16-34-31-25(29-32-34)19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,28,35)(H,30,36)
InChIKeyVXRGRZBIHREQHQ-UHFFFAOYSA-N
MW480.53 g/mol
LogP2.76
Rot. Bonds7

About N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide

N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide (PubChem CID 27709932) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
PubChem CID27709932
Molecular FormulaC26H24N8O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC NameN'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
SMILESCCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H24N8O2/c1-2-23-27-21-10-6-7-11-22(21)33(23)17-24(35)28-30-26(36)20-14-12-18(13-15-20)16-34-31-25(29-32-34)19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,28,35)(H,30,36)
InChIKeyVXRGRZBIHREQHQ-UHFFFAOYSA-N
XLogP2.76
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 167978506
4-(methoxymethyl)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 8635386
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55376043
N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 27709841
2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24658106
3,4-dimethyl-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]benzamide
CID 24541956
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930
2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541848
(E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide
CID 55376248

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The IUPAC name of N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide (CID 27709932) is N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide.
What is the SMILES notation for N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The canonical SMILES for N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide is CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The InChIKey is VXRGRZBIHREQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O2/c1-2-23-27-21-10-6-7-11-22(21)33(23)17-24(35)28-30-26(36)20-14-12-18(13-15-20)16-34-31-25(29-32-34)19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,28,35)(H,30,36).
What are the key properties of N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide has a molecular weight of 480.53 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide is sourced from PubChem (CID 27709932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).