N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide

C25H25N3O2 — CID 90961984

IUPACN-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NC(c2c(C)cccc2C)c2cnc3ccccn23)cc1
InChIInChI=1S/C25H25N3O2/c1-17-7-6-8-18(2)23(17)24(21-15-26-22-9-4-5-14-28(21)22)27-25(29)20-12-10-19(11-13-20)16-30-3/h4-15,24H,16H2,1-3H3,(H,27,29)
InChIKeyLKFVFVYVDAIREA-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.62
Rot. Bonds6

About N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide

N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide (PubChem CID 90961984) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide
PubChem CID90961984
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NC(c2c(C)cccc2C)c2cnc3ccccn23)cc1
InChIInChI=1S/C25H25N3O2/c1-17-7-6-8-18(2)23(17)24(21-15-26-22-9-4-5-14-28(21)22)27-25(29)20-12-10-19(11-13-20)16-30-3/h4-15,24H,16H2,1-3H3,(H,27,29)
InChIKeyLKFVFVYVDAIREA-UHFFFAOYSA-N
XLogP4.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide (CID 90961984) is N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NC(c2c(C)cccc2C)c2cnc3ccccn23)cc1.
What is the InChIKey of N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide?
The InChIKey is LKFVFVYVDAIREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-7-6-8-18(2)23(17)24(21-15-26-22-9-4-5-14-28(21)22)27-25(29)20-12-10-19(11-13-20)16-30-3/h4-15,24H,16H2,1-3H3,(H,27,29).
What are the key properties of N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide?
N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 90961984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).