8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine

C34H43N5O2 — CID 155633527

IUPAC8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine
SMILESCC1=C(C)N(c2cccc(Oc3cc(Oc4cc(C(C)(C)C)ccn4)c4nc(C(C)C)c(C(C)C)n4c3)c2)CN1C
InChIInChI=1S/C34H43N5O2/c1-21(2)31-32(22(3)4)38-19-28(40-27-13-11-12-26(17-27)39-20-37(10)23(5)24(39)6)18-29(33(38)36-31)41-30-16-25(14-15-35-30)34(7,8)9/h11-19,21-22H,20H2,1-10H3
InChIKeyIQSBCUICIIHLTB-UHFFFAOYSA-N
MW553.75 g/mol
LogP8.82
Rot. Bonds7

About 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine

8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine (PubChem CID 155633527) has the molecular formula C34H43N5O2 and a molecular weight of 553.75 g/mol. Its IUPAC name is 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine
PubChem CID155633527
Molecular FormulaC34H43N5O2
Molecular Weight553.75 g/mol
Exact Mass553.34
IUPAC Name8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine
SMILESCC1=C(C)N(c2cccc(Oc3cc(Oc4cc(C(C)(C)C)ccn4)c4nc(C(C)C)c(C(C)C)n4c3)c2)CN1C
InChIInChI=1S/C34H43N5O2/c1-21(2)31-32(22(3)4)38-19-28(40-27-13-11-12-26(17-27)39-20-37(10)23(5)24(39)6)18-29(33(38)36-31)41-30-16-25(14-15-35-30)34(7,8)9/h11-19,21-22H,20H2,1-10H3
InChIKeyIQSBCUICIIHLTB-UHFFFAOYSA-N
XLogP8.82
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.75
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

4-tert-butyl-2-[2-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]thieno[3,2-g][1]benzothiol-4-yl]pyridine
CID 177293108
1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
CID 140729745
1-[2-[3-[(4-tert-butyl-2-pyridinyl)sulfanyl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848516
8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine
CID 155633326
6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine
CID 155633466
9-(4-tert-butyl-2-pyridinyl)-2-[8-(3-methylimidazol-3-ium-1-yl)-2,3-di(propan-2-yl)imidazo[1,2-a]pyridin-6-yl]oxycarbazole
CID 155633623
6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine
CID 155633412
5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine
CID 155633396
9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole
CID 162263550
1-[2-[3-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848392
1-[2-[3-[9-(4-tert-butyl-2-pyridinyl)xanthen-9-yl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848606
1-[2-[3-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1]benzosilin-5-yl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848442

Frequently Asked Questions

What is the IUPAC name of 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine?
The IUPAC name of 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine (CID 155633527) is 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine is CC1=C(C)N(c2cccc(Oc3cc(Oc4cc(C(C)(C)C)ccn4)c4nc(C(C)C)c(C(C)C)n4c3)c2)CN1C.
What is the InChIKey of 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine?
The InChIKey is IQSBCUICIIHLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O2/c1-21(2)31-32(22(3)4)38-19-28(40-27-13-11-12-26(17-27)39-20-37(10)23(5)24(39)6)18-29(33(38)36-31)41-30-16-25(14-15-35-30)34(7,8)9/h11-19,21-22H,20H2,1-10H3.
What are the key properties of 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine?
8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine has a molecular weight of 553.75 g/mol, XLogP of 8.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155633527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).