2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile

C18H18N4 — CID 82223353

IUPAC2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCCc1ccc(Cc2nc3ccc(N)cn3c2CC#N)cc1
InChIInChI=1S/C18H18N4/c1-2-13-3-5-14(6-4-13)11-16-17(9-10-19)22-12-15(20)7-8-18(22)21-16/h3-8,12H,2,9,11,20H2,1H3
InChIKeySVIXXKYVDVTYJQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.14
Rot. Bonds4

About 2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 82223353) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID82223353
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCCc1ccc(Cc2nc3ccc(N)cn3c2CC#N)cc1
InChIInChI=1S/C18H18N4/c1-2-13-3-5-14(6-4-13)11-16-17(9-10-19)22-12-15(20)7-8-18(22)21-16/h3-8,12H,2,9,11,20H2,1H3
InChIKeySVIXXKYVDVTYJQ-UHFFFAOYSA-N
XLogP3.14
TPSA67.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-amine
CID 82223100
3-(diethylaminomethyl)-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 94964077
4-[(4-ethylphenyl)methyl]aniline
CID 39242922
2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 93203589
6-amino-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 118879739
2-[2-(4-aminophenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82530319
2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile
CID 82223325
6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
CID 94963899
ethane;2-(4-ethylphenyl)acetonitrile
CID 143828452
[2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82223384
3-[(dipropylamino)methyl]-2-propan-2-ylimidazo[1,2-a]pyridin-6-amine
CID 39121204
[6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 82223169

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 82223353) is 2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile is CCc1ccc(Cc2nc3ccc(N)cn3c2CC#N)cc1.
What is the InChIKey of 2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is SVIXXKYVDVTYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-13-3-5-14(6-4-13)11-16-17(9-10-19)22-12-15(20)7-8-18(22)21-16/h3-8,12H,2,9,11,20H2,1H3.
What are the key properties of 2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 82223353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).