2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride

C30H39ClN2O2 — CID 153324461

IUPAC2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride
SMILESCOc1cccc(OC)c1[NH+]1C=C2C=CC=C(c3c(C(C)C)cc(C(C)C)cc3C(C)C)N2C1.[Cl-]
InChIInChI=1S/C30H38N2O2.ClH/c1-19(2)22-15-24(20(3)4)29(25(16-22)21(5)6)26-12-9-11-23-17-31(18-32(23)26)30-27(33-7)13-10-14-28(30)34-8;/h9-17,19-21H,18H2,1-8H3;1H
InChIKeyYCQXBMIWQVAJKQ-UHFFFAOYSA-N
MW495.11 g/mol
LogP3.32
Rot. Bonds7

About 2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride

2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride (PubChem CID 153324461) has the molecular formula C30H39ClN2O2 and a molecular weight of 495.11 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride
PubChem CID153324461
Molecular FormulaC30H39ClN2O2
Molecular Weight495.11 g/mol
Exact Mass494.27
IUPAC Name2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride
SMILESCOc1cccc(OC)c1[NH+]1C=C2C=CC=C(c3c(C(C)C)cc(C(C)C)cc3C(C)C)N2C1.[Cl-]
InChIInChI=1S/C30H38N2O2.ClH/c1-19(2)22-15-24(20(3)4)29(25(16-22)21(5)6)26-12-9-11-23-17-31(18-32(23)26)30-27(33-7)13-10-14-28(30)34-8;/h9-17,19-21H,18H2,1-8H3;1H
InChIKeyYCQXBMIWQVAJKQ-UHFFFAOYSA-N
XLogP3.32
TPSA26.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.11
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride (CID 153324461) is 2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride is COc1cccc(OC)c1[NH+]1C=C2C=CC=C(c3c(C(C)C)cc(C(C)C)cc3C(C)C)N2C1.[Cl-].
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride?
The InChIKey is YCQXBMIWQVAJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2.ClH/c1-19(2)22-15-24(20(3)4)29(25(16-22)21(5)6)26-12-9-11-23-17-31(18-32(23)26)30-27(33-7)13-10-14-28(30)34-8;/h9-17,19-21H,18H2,1-8H3;1H.
What are the key properties of 2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride?
2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride has a molecular weight of 495.11 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridin-2-ium chloride is sourced from PubChem (CID 153324461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).