5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide

C26H22N4OS — CID 4731905

IUPAC5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide
SMILESCCn1c(-c2ccc(C(=O)NN(c3ccccc3)c3ccccc3)s2)nc2ccccc21
InChIInChI=1S/C26H22N4OS/c1-2-29-22-16-10-9-15-21(22)27-25(29)23-17-18-24(32-23)26(31)28-30(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-18H,2H2,1H3,(H,28,31)
InChIKeyGEXNOCKCOFBZEL-UHFFFAOYSA-N
MW438.56 g/mol
LogP6.27
Rot. Bonds6

About 5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide

5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide (PubChem CID 4731905) has the molecular formula C26H22N4OS and a molecular weight of 438.56 g/mol. Its IUPAC name is 5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide
PubChem CID4731905
Molecular FormulaC26H22N4OS
Molecular Weight438.56 g/mol
Exact Mass438.15
IUPAC Name5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide
SMILESCCn1c(-c2ccc(C(=O)NN(c3ccccc3)c3ccccc3)s2)nc2ccccc21
InChIInChI=1S/C26H22N4OS/c1-2-29-22-16-10-9-15-21(22)27-25(29)23-17-18-24(32-23)26(31)28-30(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-18H,2H2,1H3,(H,28,31)
InChIKeyGEXNOCKCOFBZEL-UHFFFAOYSA-N
XLogP6.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide?
The IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide (CID 4731905) is 5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide.
What is the SMILES notation for 5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide?
The canonical SMILES for 5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide is CCn1c(-c2ccc(C(=O)NN(c3ccccc3)c3ccccc3)s2)nc2ccccc21.
What is the InChIKey of 5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide?
The InChIKey is GEXNOCKCOFBZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4OS/c1-2-29-22-16-10-9-15-21(22)27-25(29)23-17-18-24(32-23)26(31)28-30(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-18H,2H2,1H3,(H,28,31).
What are the key properties of 5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide?
5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide has a molecular weight of 438.56 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide is sourced from PubChem (CID 4731905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).