5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide

C21H17N5O4S — CID 4731945

IUPAC5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
SMILESCCn1c(-c2ccc(C(=O)NNC(=O)c3ccccc3[N+](=O)[O-])s2)nc2ccccc21
InChIInChI=1S/C21H17N5O4S/c1-2-25-16-10-6-4-8-14(16)22-19(25)17-11-12-18(31-17)21(28)24-23-20(27)13-7-3-5-9-15(13)26(29)30/h3-12H,2H2,1H3,(H,23,27)(H,24,28)
InChIKeyWECLVLPEUZBVPI-UHFFFAOYSA-N
MW435.47 g/mol
LogP3.77
Rot. Bonds5

About 5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide

5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide (PubChem CID 4731945) has the molecular formula C21H17N5O4S and a molecular weight of 435.47 g/mol. Its IUPAC name is 5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
PubChem CID4731945
Molecular FormulaC21H17N5O4S
Molecular Weight435.47 g/mol
Exact Mass435.10
IUPAC Name5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
SMILESCCn1c(-c2ccc(C(=O)NNC(=O)c3ccccc3[N+](=O)[O-])s2)nc2ccccc21
InChIInChI=1S/C21H17N5O4S/c1-2-25-16-10-6-4-8-14(16)22-19(25)17-11-12-18(31-17)21(28)24-23-20(27)13-7-3-5-9-15(13)26(29)30/h3-12H,2H2,1H3,(H,23,27)(H,24,28)
InChIKeyWECLVLPEUZBVPI-UHFFFAOYSA-N
XLogP3.77
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dinitrophenyl)-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4731962
N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731876
5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 4224270
N'-(4-methylphenyl)sulfonyl-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732104
N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732105
5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide
CID 4731758
5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4731815
5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4711380
5-(1-ethylbenzimidazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 4731849
N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732064
N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732047
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide (CID 4731945) is 5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide is CCn1c(-c2ccc(C(=O)NNC(=O)c3ccccc3[N+](=O)[O-])s2)nc2ccccc21.
What is the InChIKey of 5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide?
The InChIKey is WECLVLPEUZBVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4S/c1-2-25-16-10-6-4-8-14(16)22-19(25)17-11-12-18(31-17)21(28)24-23-20(27)13-7-3-5-9-15(13)26(29)30/h3-12H,2H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide?
5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide has a molecular weight of 435.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 4731945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).