5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine

C23H16BrN3 — CID 10431922

IUPAC5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine
SMILESBrc1ccc(Cn2ccc3nc(-c4ccc5ccccc5c4)nc-3c2)cc1
InChIInChI=1S/C23H16BrN3/c24-20-9-5-16(6-10-20)14-27-12-11-21-22(15-27)26-23(25-21)19-8-7-17-3-1-2-4-18(17)13-19/h1-13,15H,14H2
InChIKeyVMTMTXMTSZIGFZ-UHFFFAOYSA-N
MW414.31 g/mol
LogP6.01
Rot. Bonds3

About 5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine

5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine (PubChem CID 10431922) has the molecular formula C23H16BrN3 and a molecular weight of 414.31 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine
PubChem CID10431922
Molecular FormulaC23H16BrN3
Molecular Weight414.31 g/mol
Exact Mass413.05
IUPAC Name5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine
SMILESBrc1ccc(Cn2ccc3nc(-c4ccc5ccccc5c4)nc-3c2)cc1
InChIInChI=1S/C23H16BrN3/c24-20-9-5-16(6-10-20)14-27-12-11-21-22(15-27)26-23(25-21)19-8-7-17-3-1-2-4-18(17)13-19/h1-13,15H,14H2
InChIKeyVMTMTXMTSZIGFZ-UHFFFAOYSA-N
XLogP6.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.31
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
6-(4-(naphthalen-2-yl)benzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444230
3-(4-Bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 657827
2-(4-Bromophenyl)imidazo[1,2-a]pyrimidine
CID 3236423
5-[(4-Tert-butylphenyl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
CID 9820217
5-Naphthalen-1-yl-imidazo[1,5-a]pyridine
CID 9837726
5-[(4-Bromophenyl)methyl]-2-(4-chlorophenyl)imidazo[4,5-c]pyridine
CID 9978218
2-(3-Bromophenyl)-5-[(4-bromophenyl)methyl]imidazo[4,5-c]pyridine
CID 9980830
5-[(4-Bromophenyl)methyl]-2-(3-fluorophenyl)imidazo[4,5-c]pyridine
CID 10045421
5-(m-Tolylmethyl)-2-phenyl-imidazo[4,5-c]pyridine
CID 10108775
5-(o-Tolylmethyl)-2-phenyl-imidazo[4,5-c]pyridine
CID 10266766
5-[(4-Bromophenyl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
CID 10362465

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine (CID 10431922) is 5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine is Brc1ccc(Cn2ccc3nc(-c4ccc5ccccc5c4)nc-3c2)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine?
The InChIKey is VMTMTXMTSZIGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3/c24-20-9-5-16(6-10-20)14-27-12-11-21-22(15-27)26-23(25-21)19-8-7-17-3-1-2-4-18(17)13-19/h1-13,15H,14H2.
What are the key properties of 5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine?
5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine has a molecular weight of 414.31 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-2-naphthalen-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 10431922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).