1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol

C15H15N2O+ — CID 139225572

IUPAC1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol
SMILESCc1cc(O)c2n(cc[n+]2Cc2ccccc2)c1
InChIInChI=1S/C15H14N2O/c1-12-9-14(18)15-16(10-12)7-8-17(15)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/p+1
InChIKeyAXGLEZJFKKQLPB-UHFFFAOYSA-O
MW239.30 g/mol
LogP2.29
Rot. Bonds2

About 1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol

1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol (PubChem CID 139225572) has the molecular formula C15H15N2O+ and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol.

Molecular Properties

Compound Name1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol
PubChem CID139225572
Molecular FormulaC15H15N2O+
Molecular Weight239.30 g/mol
Exact Mass239.12
IUPAC Name1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol
SMILESCc1cc(O)c2n(cc[n+]2Cc2ccccc2)c1
InChIInChI=1S/C15H14N2O/c1-12-9-14(18)15-16(10-12)7-8-17(15)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/p+1
InChIKeyAXGLEZJFKKQLPB-UHFFFAOYSA-O
XLogP2.29
TPSA28.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Coelenterazine
CID 135445694
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
6-Chloro-2,3-dimethylimidazo[1,2-a]pyridin-8-ol
CID 25113763
4-Imidazo[1,2-a]pyridin-2-yl-phenol
CID 16682232
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
(8-Benzyloxy-2-methyl-imidazo[1,2-a]pyridin-3-yl)-methanol
CID 9860166
8-(Benzyloxy)-2-methylimidazo[1,2-a]pyridin-3-amine
CID 13900258
2-[4-(Dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-ol
CID 17759200
4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylaniline
CID 17759205
4-[3-[4-(Dimethylamino)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenol
CID 117769710
4-(6-Phenylimidazo[1,2-a]pyrazin-3-yl)phenol
CID 141381328
Coelenterazine H
CID 135398664

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol?
The IUPAC name of 1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol (CID 139225572) is 1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol.
What is the SMILES notation for 1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol?
The canonical SMILES for 1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol is Cc1cc(O)c2n(cc[n+]2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol?
The InChIKey is AXGLEZJFKKQLPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H14N2O/c1-12-9-14(18)15-16(10-12)7-8-17(15)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/p+1.
What are the key properties of 1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol?
1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol has a molecular weight of 239.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methylimidazo[1,2-a]pyridin-1-ium-8-ol is sourced from PubChem (CID 139225572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).