ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide

C26H31N3O2 — CID 123200330

IUPACethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide
SMILESCC.CC.COc1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(C)c1
InChIInChI=1S/C22H19N3O2.2C2H6/c1-15-13-18(27-2)10-11-19(15)22(26)23-17-8-6-16(7-9-17)20-14-25-12-4-3-5-21(25)24-20;2*1-2/h3-14H,1-2H3,(H,23,26);2*1-2H3
InChIKeyBUUASKGITNIFCM-UHFFFAOYSA-N
MW417.55 g/mol
LogP6.62
Rot. Bonds4

About ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide

ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide (PubChem CID 123200330) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound Nameethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide
PubChem CID123200330
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Nameethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide
SMILESCC.CC.COc1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(C)c1
InChIInChI=1S/C22H19N3O2.2C2H6/c1-15-13-18(27-2)10-11-19(15)22(26)23-17-8-6-16(7-9-17)20-14-25-12-4-3-5-21(25)24-20;2*1-2/h3-14H,1-2H3,(H,23,26);2*1-2H3
InChIKeyBUUASKGITNIFCM-UHFFFAOYSA-N
XLogP6.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 2980139
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzamide
CID 122284080
ethane;4-imidazo[1,2-a]pyridin-2-ylaniline;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;2-methyl-4-methylsulfonylbenzoic acid
CID 159465039
2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide
CID 122283422
2-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 3763346
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-methylbenzamide
CID 40570291
2,5-dichloro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-3-carboxamide
CID 41451826
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 24598852
1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methylphenyl)urea
CID 121089798
2,4-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121089708
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 24661435
ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
CID 123725657

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide?
The IUPAC name of ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide (CID 123200330) is ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide.
What is the SMILES notation for ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide?
The canonical SMILES for ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide is CC.CC.COc1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(C)c1.
What is the InChIKey of ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide?
The InChIKey is BUUASKGITNIFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2.2C2H6/c1-15-13-18(27-2)10-11-19(15)22(26)23-17-8-6-16(7-9-17)20-14-25-12-4-3-5-21(25)24-20;2*1-2/h3-14H,1-2H3,(H,23,26);2*1-2H3.
What are the key properties of ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide?
ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide has a molecular weight of 417.55 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 123200330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).