4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide

C18H19N5O3S — CID 108729318

IUPAC4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCc2[nH]cnc2-c2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N5O3S/c1-22(2)14-6-5-12(10-15(14)23(25)26)18(24)19-8-7-13-17(21-11-20-13)16-4-3-9-27-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyDLCUHVFTBOPCEO-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.08
Rot. Bonds7

About 4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide

4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 108729318) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
PubChem CID108729318
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCc2[nH]cnc2-c2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N5O3S/c1-22(2)14-6-5-12(10-15(14)23(25)26)18(24)19-8-7-13-17(21-11-20-13)16-4-3-9-27-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyDLCUHVFTBOPCEO-UHFFFAOYSA-N
XLogP3.08
TPSA104.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 108729336
4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729363
[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate
CID 108729293
3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753078
1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea
CID 108729375
2,6-dimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753068
4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 25349409
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 108729429
N-butyl-4-(dimethylamino)-3-nitrobenzamide
CID 34230456
4-(dimethylamino)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 27659209
4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide
CID 108729411
3,6-dichloro-2-methoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729299

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide (CID 108729318) is 4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide is CN(C)c1ccc(C(=O)NCCc2[nH]cnc2-c2cccs2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is DLCUHVFTBOPCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-22(2)14-6-5-12(10-15(14)23(25)26)18(24)19-8-7-13-17(21-11-20-13)16-4-3-9-27-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of 4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 385.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 108729318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).