2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide

C19H20BrN3O4S — CID 108753093

IUPAC2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2[nH]cnc2-c2cccs2)c(Br)c(OC)c1OC
InChIInChI=1S/C19H20BrN3O4S/c1-25-13-9-11(15(20)18(27-3)17(13)26-2)19(24)21-7-6-12-16(23-10-22-12)14-5-4-8-28-14/h4-5,8-10H,6-7H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyCGMGHASYXXBNSK-UHFFFAOYSA-N
MW466.36 g/mol
LogP3.90
Rot. Bonds8

About 2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide

2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 108753093) has the molecular formula C19H20BrN3O4S and a molecular weight of 466.36 g/mol. Its IUPAC name is 2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
PubChem CID108753093
Molecular FormulaC19H20BrN3O4S
Molecular Weight466.36 g/mol
Exact Mass465.04
IUPAC Name2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2[nH]cnc2-c2cccs2)c(Br)c(OC)c1OC
InChIInChI=1S/C19H20BrN3O4S/c1-25-13-9-11(15(20)18(27-3)17(13)26-2)19(24)21-7-6-12-16(23-10-22-12)14-5-4-8-28-14/h4-5,8-10H,6-7H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyCGMGHASYXXBNSK-UHFFFAOYSA-N
XLogP3.90
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.36
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753068
3,6-dichloro-2-methoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729299
3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753078
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 108729336
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 108753135
[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate
CID 108729293
4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729363
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 108729429
1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea
CID 108729375
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
CID 108811525
5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 108729406
2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide
CID 2292777

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide (CID 108753093) is 2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide is COc1cc(C(=O)NCCc2[nH]cnc2-c2cccs2)c(Br)c(OC)c1OC.
What is the InChIKey of 2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is CGMGHASYXXBNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O4S/c1-25-13-9-11(15(20)18(27-3)17(13)26-2)19(24)21-7-6-12-16(23-10-22-12)14-5-4-8-28-14/h4-5,8-10H,6-7H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 466.36 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 108753093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).