5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide

C20H15N5O4S — CID 4731815

IUPAC5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide
SMILESCn1c(-c2ccc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)s2)nc2ccccc21
InChIInChI=1S/C20H15N5O4S/c1-24-15-8-3-2-7-14(15)21-18(24)16-9-10-17(30-16)20(27)23-22-19(26)12-5-4-6-13(11-12)25(28)29/h2-11H,1H3,(H,22,26)(H,23,27)
InChIKeyDPDXLKYJPWHLJR-UHFFFAOYSA-N
MW421.44 g/mol
LogP3.28
Rot. Bonds4

About 5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide

5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide (PubChem CID 4731815) has the molecular formula C20H15N5O4S and a molecular weight of 421.44 g/mol. Its IUPAC name is 5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide
PubChem CID4731815
Molecular FormulaC20H15N5O4S
Molecular Weight421.44 g/mol
Exact Mass421.08
IUPAC Name5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide
SMILESCn1c(-c2ccc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)s2)nc2ccccc21
InChIInChI=1S/C20H15N5O4S/c1-24-15-8-3-2-7-14(15)21-18(24)16-9-10-17(30-16)20(27)23-22-19(26)12-5-4-6-13(11-12)25(28)29/h2-11H,1H3,(H,22,26)(H,23,27)
InChIKeyDPDXLKYJPWHLJR-UHFFFAOYSA-N
XLogP3.28
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.28
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

5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide
CID 4731758
5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide
CID 4731737
5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4731945
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-nitrobenzamide
CID 51277941
N-[2-[[(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 56519413
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24554264
N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide
CID 46642196
N'-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitrobenzohydrazide
CID 46661601
N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-nitrobenzohydrazide
CID 29351963
2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide
CID 38767727
3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9033714

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide (CID 4731815) is 5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide is Cn1c(-c2ccc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)s2)nc2ccccc21.
What is the InChIKey of 5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide?
The InChIKey is DPDXLKYJPWHLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4S/c1-24-15-8-3-2-7-14(15)21-18(24)16-9-10-17(30-16)20(27)23-22-19(26)12-5-4-6-13(11-12)25(28)29/h2-11H,1H3,(H,22,26)(H,23,27).
What are the key properties of 5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide?
5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide has a molecular weight of 421.44 g/mol, XLogP of 3.28, 4 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'-(3-nitrobenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 4731815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).