5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile

C15H12N4O — CID 61267731

IUPAC5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
SMILESN#Cc1cc(N)ccc1OCc1cn2ccccc2n1
InChIInChI=1S/C15H12N4O/c16-8-11-7-12(17)4-5-14(11)20-10-13-9-19-6-2-1-3-15(19)18-13/h1-7,9H,10,17H2
InChIKeyPYBVPRDWLUKPKB-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.37
Rot. Bonds3

About 5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile

5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile (PubChem CID 61267731) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
PubChem CID61267731
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
SMILESN#Cc1cc(N)ccc1OCc1cn2ccccc2n1
InChIInChI=1S/C15H12N4O/c16-8-11-7-12(17)4-5-14(11)20-10-13-9-19-6-2-1-3-15(19)18-13/h1-7,9H,10,17H2
InChIKeyPYBVPRDWLUKPKB-UHFFFAOYSA-N
XLogP2.37
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 7433386
4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
CID 107497897
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile
CID 103760082
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 852438
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile
CID 103567182
5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile
CID 55108435
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid
CID 60698887
2-[(2-bromo-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 28602482
2-[(4-bromo-2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 112779233
2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 170746842
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
CID 60655585

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile?
The IUPAC name of 5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile (CID 61267731) is 5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile?
The canonical SMILES for 5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile is N#Cc1cc(N)ccc1OCc1cn2ccccc2n1.
What is the InChIKey of 5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile?
The InChIKey is PYBVPRDWLUKPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-8-11-7-12(17)4-5-14(11)20-10-13-9-19-6-2-1-3-15(19)18-13/h1-7,9H,10,17H2.
What are the key properties of 5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile?
5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 61267731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).