N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C22H20BrN3O2S — CID 37141020

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1cccn2cc(COc3ccccc3C(=O)N(C)Cc3ccc(Br)s3)nc12
InChIInChI=1S/C22H20BrN3O2S/c1-15-6-5-11-26-12-16(24-21(15)26)14-28-19-8-4-3-7-18(19)22(27)25(2)13-17-9-10-20(23)29-17/h3-12H,13-14H2,1-2H3
InChIKeyZOKWMKJOKFNMDI-UHFFFAOYSA-N
MW470.39 g/mol
LogP5.32
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 37141020) has the molecular formula C22H20BrN3O2S and a molecular weight of 470.39 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID37141020
Molecular FormulaC22H20BrN3O2S
Molecular Weight470.39 g/mol
Exact Mass469.05
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1cccn2cc(COc3ccccc3C(=O)N(C)Cc3ccc(Br)s3)nc12
InChIInChI=1S/C22H20BrN3O2S/c1-15-6-5-11-26-12-16(24-21(15)26)14-28-19-8-4-3-7-18(19)22(27)25(2)13-17-9-10-20(23)29-17/h3-12H,13-14H2,1-2H3
InChIKeyZOKWMKJOKFNMDI-UHFFFAOYSA-N
XLogP5.32
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.39
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 37141020) is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1cccn2cc(COc3ccccc3C(=O)N(C)Cc3ccc(Br)s3)nc12.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is ZOKWMKJOKFNMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O2S/c1-15-6-5-11-26-12-16(24-21(15)26)14-28-19-8-4-3-7-18(19)22(27)25(2)13-17-9-10-20(23)29-17/h3-12H,13-14H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 470.39 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 37141020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).