1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole

C21H18N2 — CID 175480884

IUPAC1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole
SMILESCn1ccc2ccc(C(c3ccccc3)c3ccccn3)cc21
InChIInChI=1S/C21H18N2/c1-23-14-12-16-10-11-18(15-20(16)23)21(17-7-3-2-4-8-17)19-9-5-6-13-22-19/h2-15,21H,1H3
InChIKeyPMRLCRCDXIZGJB-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.75
Rot. Bonds3

About 1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole

1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole (PubChem CID 175480884) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole.

Molecular Properties

Compound Name1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole
PubChem CID175480884
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole
SMILESCn1ccc2ccc(C(c3ccccc3)c3ccccn3)cc21
InChIInChI=1S/C21H18N2/c1-23-14-12-16-10-11-18(15-20(16)23)21(17-7-3-2-4-8-17)19-9-5-6-13-22-19/h2-15,21H,1H3
InChIKeyPMRLCRCDXIZGJB-UHFFFAOYSA-N
XLogP4.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
2-[3-[phenyl(pyridin-2-yl)methyl]phenyl]pyridine
CID 146224739
2-[phenyl(pyridin-2-yl)methyl]quinoline
CID 175958050
2-[(2-methylphenyl)-phenylmethyl]pyridine
CID 170986908
2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine
CID 54023551
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine
CID 162495588
4-methyl-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole
CID 10683193
3-amino-3-(1-methylindol-6-yl)propanoic acid
CID 82614847
ethane;2-(1-phenylethyl)pyridine
CID 143899083
2-(methylamino)-1-(1-methylindol-6-yl)ethanol
CID 82609196

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole?
The IUPAC name of 1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole (CID 175480884) is 1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole.
What is the SMILES notation for 1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole?
The canonical SMILES for 1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole is Cn1ccc2ccc(C(c3ccccc3)c3ccccn3)cc21.
What is the InChIKey of 1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole?
The InChIKey is PMRLCRCDXIZGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-23-14-12-16-10-11-18(15-20(16)23)21(17-7-3-2-4-8-17)19-9-5-6-13-22-19/h2-15,21H,1H3.
What are the key properties of 1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole?
1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole has a molecular weight of 298.39 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[phenyl(pyridin-2-yl)methyl]indole is sourced from PubChem (CID 175480884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).