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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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).