3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide

C22H27N5O4 — CID 90588973

IUPAC3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCn2ccnc2-c2ncccn2)cc(OCC)c1OCC
InChIInChI=1S/C22H27N5O4/c1-4-29-17-14-16(15-18(30-5-2)19(17)31-6-3)22(28)26-11-13-27-12-10-25-21(27)20-23-8-7-9-24-20/h7-10,12,14-15H,4-6,11,13H2,1-3H3,(H,26,28)
InChIKeyFZBKJHLKFFGWQP-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.97
Rot. Bonds11

About 3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide

3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide (PubChem CID 90588973) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
PubChem CID90588973
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCn2ccnc2-c2ncccn2)cc(OCC)c1OCC
InChIInChI=1S/C22H27N5O4/c1-4-29-17-14-16(15-18(30-5-2)19(17)31-6-3)22(28)26-11-13-27-12-10-25-21(27)20-23-8-7-9-24-20/h7-10,12,14-15H,4-6,11,13H2,1-3H3,(H,26,28)
InChIKeyFZBKJHLKFFGWQP-UHFFFAOYSA-N
XLogP2.97
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
CID 90588830
N-[2-[2-(2-ethoxyphenyl)imidazol-1-yl]ethyl]pyridine-3-carboxamide
CID 56915953
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]benzamide
CID 86266110
3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3288194
4-chloro-3-nitro-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
CID 90588939
N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide
CID 756601
1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
CID 90589085
3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 42266222
1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71808259
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
3,4,5-triethoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]benzamide
CID 110293888
3,4,5-triethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27677815

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide (CID 90588973) is 3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide is CCOc1cc(C(=O)NCCn2ccnc2-c2ncccn2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide?
The InChIKey is FZBKJHLKFFGWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-4-29-17-14-16(15-18(30-5-2)19(17)31-6-3)22(28)26-11-13-27-12-10-25-21(27)20-23-8-7-9-24-20/h7-10,12,14-15H,4-6,11,13H2,1-3H3,(H,26,28).
What are the key properties of 3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide?
3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90588973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).