4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide

C26H21N3O3S — CID 108811342

IUPAC4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NCCc4[nH]cnc4-c4cccs4)cc3)cc(=O)c2c1
InChIInChI=1S/C26H21N3O3S/c1-16-4-9-22-19(13-16)21(30)14-23(32-22)17-5-7-18(8-6-17)26(31)27-11-10-20-25(29-15-28-20)24-3-2-12-33-24/h2-9,12-15H,10-11H2,1H3,(H,27,31)(H,28,29)
InChIKeyFBTCIDZBDLQJAP-UHFFFAOYSA-N
MW455.54 g/mol
LogP5.19
Rot. Bonds6

About 4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide

4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 108811342) has the molecular formula C26H21N3O3S and a molecular weight of 455.54 g/mol. Its IUPAC name is 4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
PubChem CID108811342
Molecular FormulaC26H21N3O3S
Molecular Weight455.54 g/mol
Exact Mass455.13
IUPAC Name4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NCCc4[nH]cnc4-c4cccs4)cc3)cc(=O)c2c1
InChIInChI=1S/C26H21N3O3S/c1-16-4-9-22-19(13-16)21(30)14-23(32-22)17-5-7-18(8-6-17)26(31)27-11-10-20-25(29-15-28-20)24-3-2-12-33-24/h2-9,12-15H,10-11H2,1H3,(H,27,31)(H,28,29)
InChIKeyFBTCIDZBDLQJAP-UHFFFAOYSA-N
XLogP5.19
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.54
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168
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
3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753078
[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate
CID 108729293
4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide
CID 108729411
11-[[4-(6-methyl-4-oxochromen-2-yl)benzoyl]amino]undecanoic acid
CID 108790270
N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790210
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-pyridinyl)benzamide
CID 108803125
N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790263

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide (CID 108811342) is 4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide is Cc1ccc2oc(-c3ccc(C(=O)NCCc4[nH]cnc4-c4cccs4)cc3)cc(=O)c2c1.
What is the InChIKey of 4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is FBTCIDZBDLQJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3S/c1-16-4-9-22-19(13-16)21(30)14-23(32-22)17-5-7-18(8-6-17)26(31)27-11-10-20-25(29-15-28-20)24-3-2-12-33-24/h2-9,12-15H,10-11H2,1H3,(H,27,31)(H,28,29).
What are the key properties of 4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 455.54 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 108811342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).