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

C19H21N3OS — CID 108729363

IUPAC4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCC(C)c1ccc(C(=O)NCCc2[nH]cnc2-c2cccs2)cc1
InChIInChI=1S/C19H21N3OS/c1-13(2)14-5-7-15(8-6-14)19(23)20-10-9-16-18(22-12-21-16)17-4-3-11-24-17/h3-8,11-13H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBKJDVHKPXKGZFT-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.23
Rot. Bonds6

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

4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 108729363) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
PubChem CID108729363
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCC(C)c1ccc(C(=O)NCCc2[nH]cnc2-c2cccs2)cc1
InChIInChI=1S/C19H21N3OS/c1-13(2)14-5-7-15(8-6-14)19(23)20-10-9-16-18(22-12-21-16)17-4-3-11-24-17/h3-8,11-13H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBKJDVHKPXKGZFT-UHFFFAOYSA-N
XLogP4.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 108729336
[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
2,6-dimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753068
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 108729429
4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729318
1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea
CID 108729375
3,6-dichloro-2-methoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729299
4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide
CID 108729411
4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108811342
2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide
CID 108729312
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
CID 108811525

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide (CID 108729363) is 4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide is CC(C)c1ccc(C(=O)NCCc2[nH]cnc2-c2cccs2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is BKJDVHKPXKGZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13(2)14-5-7-15(8-6-14)19(23)20-10-9-16-18(22-12-21-16)17-4-3-11-24-17/h3-8,11-13H,9-10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 339.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 108729363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).