4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine

C29H32N4O2 — CID 71721523

IUPAC4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine
SMILESCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccncc3)n2CC(C)C)cc1OC1CCCC1
InChIInChI=1S/C29H32N4O2/c1-20(2)19-33-28(22-12-16-31-17-13-22)27(21-10-14-30-15-11-21)32-29(33)23-8-9-25(34-3)26(18-23)35-24-6-4-5-7-24/h8-18,20,24H,4-7,19H2,1-3H3
InChIKeyKLQLJNDTDQUUHT-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.66
Rot. Bonds8

About 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine

4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine (PubChem CID 71721523) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine
PubChem CID71721523
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine
SMILESCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccncc3)n2CC(C)C)cc1OC1CCCC1
InChIInChI=1S/C29H32N4O2/c1-20(2)19-33-28(22-12-16-31-17-13-22)27(21-10-14-30-15-11-21)32-29(33)23-8-9-25(34-3)26(18-23)35-24-6-4-5-7-24/h8-18,20,24H,4-7,19H2,1-3H3
InChIKeyKLQLJNDTDQUUHT-UHFFFAOYSA-N
XLogP6.66
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine?
The IUPAC name of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine (CID 71721523) is 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine.
What is the SMILES notation for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine?
The canonical SMILES for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine is COc1ccc(-c2nc(-c3ccncc3)c(-c3ccncc3)n2CC(C)C)cc1OC1CCCC1.
What is the InChIKey of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine?
The InChIKey is KLQLJNDTDQUUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-20(2)19-33-28(22-12-16-31-17-13-22)27(21-10-14-30-15-11-21)32-29(33)23-8-9-25(34-3)26(18-23)35-24-6-4-5-7-24/h8-18,20,24H,4-7,19H2,1-3H3.
What are the key properties of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine?
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine has a molecular weight of 468.60 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine is sourced from PubChem (CID 71721523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).