2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol

C34H30N4O — CID 140865331

IUPAC2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
SMILESCn1c(-c2cccc(C(C)(C)C)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccccn4)c3)nccc21
InChIInChI=1S/C34H30N4O/c1-34(2,3)27-14-10-13-26(32(27)39)33-37-31-29(38(33)4)16-18-36-30(31)25-20-23(22-11-6-5-7-12-22)19-24(21-25)28-15-8-9-17-35-28/h5-21,39H,1-4H3
InChIKeyWCPVQCXDFGDWOA-UHFFFAOYSA-N
MW510.64 g/mol
LogP8.03
Rot. Bonds4

About 2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol

2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol (PubChem CID 140865331) has the molecular formula C34H30N4O and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
PubChem CID140865331
Molecular FormulaC34H30N4O
Molecular Weight510.64 g/mol
Exact Mass510.24
IUPAC Name2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
SMILESCn1c(-c2cccc(C(C)(C)C)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccccn4)c3)nccc21
InChIInChI=1S/C34H30N4O/c1-34(2,3)27-14-10-13-26(32(27)39)33-37-31-29(38(33)4)16-18-36-30(31)25-20-23(22-11-6-5-7-12-22)19-24(21-25)28-15-8-9-17-35-28/h5-21,39H,1-4H3
InChIKeyWCPVQCXDFGDWOA-UHFFFAOYSA-N
XLogP8.03
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865219
2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865255
2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865149
2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864887
2-[1-methyl-4-(3-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 137305162
2-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864141
2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864573
2-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864557
2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140865223
2-tert-butyl-6-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 176593288
2,4-ditert-butyl-6-[1-methyl-4-[3-(2-phenylpropan-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164743078
2-tert-butyl-6-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1-methylimidazo[4,5-c]pyridin-2-yl]cyclohexa-1,5-dien-1-ol;2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;2-tert-butyl-6-[1-methyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;2-tert-butyl-6-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;2-tert-butyl-6-[1-methyl-4-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;platinum
CID 162228047

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol?
The IUPAC name of 2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol (CID 140865331) is 2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol?
The canonical SMILES for 2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol is Cn1c(-c2cccc(C(C)(C)C)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccccn4)c3)nccc21.
What is the InChIKey of 2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol?
The InChIKey is WCPVQCXDFGDWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O/c1-34(2,3)27-14-10-13-26(32(27)39)33-37-31-29(38(33)4)16-18-36-30(31)25-20-23(22-11-6-5-7-12-22)19-24(21-25)28-15-8-9-17-35-28/h5-21,39H,1-4H3.
What are the key properties of 2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol?
2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol has a molecular weight of 510.64 g/mol, XLogP of 8.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol is sourced from PubChem (CID 140865331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).