2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile

C22H17N3O — CID 58191859

IUPAC2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCc1cc(-c2cn3cc(C#N)ccc3n2)ccc1OCc1ccccc1
InChIInChI=1S/C22H17N3O/c1-16-11-19(8-9-21(16)26-15-17-5-3-2-4-6-17)20-14-25-13-18(12-23)7-10-22(25)24-20/h2-11,13-14H,15H2,1H3
InChIKeyBISKSALXOYAJDX-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.76
Rot. Bonds4

About 2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile

2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 58191859) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID58191859
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCc1cc(-c2cn3cc(C#N)ccc3n2)ccc1OCc1ccccc1
InChIInChI=1S/C22H17N3O/c1-16-11-19(8-9-21(16)26-15-17-5-3-2-4-6-17)20-14-25-13-18(12-23)7-10-22(25)24-20/h2-11,13-14H,15H2,1H3
InChIKeyBISKSALXOYAJDX-UHFFFAOYSA-N
XLogP4.76
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine
CID 58191816
2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-6-methylimidazo[1,2-a]pyridine
CID 58191885
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060343
1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole
CID 58510139
2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060342
2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060349
4-[(4-tert-butyl-2-methylphenoxy)methyl]benzonitrile
CID 43237648
3-ethyl-4-phenylmethoxybenzonitrile
CID 56984010
4-methyl-3-(2-phenylmethoxyphenyl)benzonitrile
CID 172914857
2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine
CID 58191856
2-(4-methoxyphenyl)-6-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine
CID 71192052

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile (CID 58191859) is 2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile is Cc1cc(-c2cn3cc(C#N)ccc3n2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is BISKSALXOYAJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-16-11-19(8-9-21(16)26-15-17-5-3-2-4-6-17)20-14-25-13-18(12-23)7-10-22(25)24-20/h2-11,13-14H,15H2,1H3.
What are the key properties of 2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile?
2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 339.40 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 58191859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).