5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide

C19H15N5O3S — CID 4731758

IUPAC5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide
SMILESCn1c(-c2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3)s2)nc2ccccc21
InChIInChI=1S/C19H15N5O3S/c1-23-15-5-3-2-4-14(15)20-18(23)16-10-11-17(28-16)19(25)22-21-12-6-8-13(9-7-12)24(26)27/h2-11,21H,1H3,(H,22,25)
InChIKeyWQOBLZKQWSHPAO-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.97
Rot. Bonds5

About 5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide

5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide (PubChem CID 4731758) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide
PubChem CID4731758
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC Name5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide
SMILESCn1c(-c2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3)s2)nc2ccccc21
InChIInChI=1S/C19H15N5O3S/c1-23-15-5-3-2-4-14(15)20-18(23)16-10-11-17(28-16)19(25)22-21-12-6-8-13(9-7-12)24(26)27/h2-11,21H,1H3,(H,22,25)
InChIKeyWQOBLZKQWSHPAO-UHFFFAOYSA-N
XLogP3.97
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.97
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'}

Analyze 5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4731815
N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731697
N'-(2,4-dinitrophenyl)-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4731962
5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide
CID 4731737
1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone
CID 13177411
N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731778
5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4731945
N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732064
N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732105
N'-(4-methylphenyl)sulfonyl-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732104
[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 4731716
2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide
CID 7755868

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide (CID 4731758) is 5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide is Cn1c(-c2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3)s2)nc2ccccc21.
What is the InChIKey of 5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide?
The InChIKey is WQOBLZKQWSHPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c1-23-15-5-3-2-4-14(15)20-18(23)16-10-11-17(28-16)19(25)22-21-12-6-8-13(9-7-12)24(26)27/h2-11,21H,1H3,(H,22,25).
What are the key properties of 5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide?
5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide has a molecular weight of 393.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 4731758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).