2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C23H25N3O4 — CID 60525962

IUPAC2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c(OC)c1OC
InChIInChI=1S/C23H25N3O4/c1-28-19-11-10-17(21(29-2)22(19)30-3)23(27)24-16-8-6-7-15(13-16)18-14-26-12-5-4-9-20(26)25-18/h6-8,10-11,13-14H,4-5,9,12H2,1-3H3,(H,24,27)
InChIKeyXMOAGECSVCDVCA-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.16
Rot. Bonds6

About 2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 60525962) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
PubChem CID60525962
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c(OC)c1OC
InChIInChI=1S/C23H25N3O4/c1-28-19-11-10-17(21(29-2)22(19)30-3)23(27)24-16-8-6-7-15(13-16)18-14-26-12-5-4-9-20(26)25-18/h6-8,10-11,13-14H,4-5,9,12H2,1-3H3,(H,24,27)
InChIKeyXMOAGECSVCDVCA-UHFFFAOYSA-N
XLogP4.16
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dichloro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885167
2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525309
1-[(4-methoxyphenyl)methyl]-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075960
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
CID 55886216
(2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 94495320
N-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838091
2-(2-cyanophenyl)sulfanyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525249
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55884527
3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 86933739
3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885038
3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide
CID 71887416
2-methoxy-5-methyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 9373778

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 60525962) is 2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The InChIKey is XMOAGECSVCDVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-28-19-11-10-17(21(29-2)22(19)30-3)23(27)24-16-8-6-7-15(13-16)18-14-26-12-5-4-9-20(26)25-18/h6-8,10-11,13-14H,4-5,9,12H2,1-3H3,(H,24,27).
What are the key properties of 2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 60525962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).