3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide

C20H18N6O3 — CID 60575788

IUPAC3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide
SMILESCc1ccc(C)c2c(C)c(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)oc12
InChIInChI=1S/C20H18N6O3/c1-11-4-5-12(2)17-16(11)13(3)18(29-17)20(28)23-22-19(27)14-6-8-15(9-7-14)26-10-21-24-25-26/h4-10H,1-3H3,(H,22,27)(H,23,28)
InChIKeyCWZIJFKRECFGPR-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.41
Rot. Bonds3

About 3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide

3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide (PubChem CID 60575788) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide
PubChem CID60575788
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide
SMILESCc1ccc(C)c2c(C)c(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)oc12
InChIInChI=1S/C20H18N6O3/c1-11-4-5-12(2)17-16(11)13(3)18(29-17)20(28)23-22-19(27)14-6-8-15(9-7-14)26-10-21-24-25-26/h4-10H,1-3H3,(H,22,27)(H,23,28)
InChIKeyCWZIJFKRECFGPR-UHFFFAOYSA-N
XLogP2.41
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30878039
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide
CID 31261165
5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 20894854
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide
CID 60621522
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide (CID 60575788) is 3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide is Cc1ccc(C)c2c(C)c(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)oc12.
What is the InChIKey of 3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is CWZIJFKRECFGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-11-4-5-12(2)17-16(11)13(3)18(29-17)20(28)23-22-19(27)14-6-8-15(9-7-14)26-10-21-24-25-26/h4-10H,1-3H3,(H,22,27)(H,23,28).
What are the key properties of 3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide?
3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 390.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 60575788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).