5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C27H35N3 — CID 70916452

IUPAC5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(Cc1ccc(C(C)(C)C)cc1)CN1CCc2nc(-c3ccccc3)n(C)c2C1
InChIInChI=1S/C27H35N3/c1-20(17-21-11-13-23(14-12-21)27(2,3)4)18-30-16-15-24-25(19-30)29(5)26(28-24)22-9-7-6-8-10-22/h6-14,20H,15-19H2,1-5H3
InChIKeyLFYUOPCMPWLRRR-UHFFFAOYSA-N
MW401.60 g/mol
LogP5.62
Rot. Bonds5

About 5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 70916452) has the molecular formula C27H35N3 and a molecular weight of 401.60 g/mol. Its IUPAC name is 5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID70916452
Molecular FormulaC27H35N3
Molecular Weight401.60 g/mol
Exact Mass401.28
IUPAC Name5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(Cc1ccc(C(C)(C)C)cc1)CN1CCc2nc(-c3ccccc3)n(C)c2C1
InChIInChI=1S/C27H35N3/c1-20(17-21-11-13-23(14-12-21)27(2,3)4)18-30-16-15-24-25(19-30)29(5)26(28-24)22-9-7-6-8-10-22/h6-14,20H,15-19H2,1-5H3
InChIKeyLFYUOPCMPWLRRR-UHFFFAOYSA-N
XLogP5.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.60
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 70916452) is 5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CC(Cc1ccc(C(C)(C)C)cc1)CN1CCc2nc(-c3ccccc3)n(C)c2C1.
What is the InChIKey of 5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is LFYUOPCMPWLRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3/c1-20(17-21-11-13-23(14-12-21)27(2,3)4)18-30-16-15-24-25(19-30)29(5)26(28-24)22-9-7-6-8-10-22/h6-14,20H,15-19H2,1-5H3.
What are the key properties of 5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 401.60 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 70916452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).