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

C25H31N3 — CID 143944225

IUPAC2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCc1ccccc1CN1CCc2nc(-c3ccc(C(C)(C)C)cc3)n(C)c2C1
InChIInChI=1S/C25H31N3/c1-18-8-6-7-9-20(18)16-28-15-14-22-23(17-28)27(5)24(26-22)19-10-12-21(13-11-19)25(2,3)4/h6-13H,14-17H2,1-5H3
InChIKeyHPINEPXCBUTOME-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.25
Rot. Bonds3

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

2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 143944225) has the molecular formula C25H31N3 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID143944225
Molecular FormulaC25H31N3
Molecular Weight373.54 g/mol
Exact Mass373.25
IUPAC Name2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCc1ccccc1CN1CCc2nc(-c3ccc(C(C)(C)C)cc3)n(C)c2C1
InChIInChI=1S/C25H31N3/c1-18-8-6-7-9-20(18)16-28-15-14-22-23(17-28)27(5)24(26-22)19-10-12-21(13-11-19)25(2,3)4/h6-13H,14-17H2,1-5H3
InChIKeyHPINEPXCBUTOME-UHFFFAOYSA-N
XLogP5.25
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium
CID 143944168
2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol
CID 136631599
2-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916327
5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916452
3-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 143944253
3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916451
5-[(2,5-dimethoxyphenyl)methyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916324
2-[(3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
CID 70916412
1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea
CID 70916338
3-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methylaniline
CID 143944109
3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 89098096
7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930273

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 143944225) is 2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cc1ccccc1CN1CCc2nc(-c3ccc(C(C)(C)C)cc3)n(C)c2C1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is HPINEPXCBUTOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3/c1-18-8-6-7-9-20(18)16-28-15-14-22-23(17-28)27(5)24(26-22)19-10-12-21(13-11-19)25(2,3)4/h6-13H,14-17H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 373.54 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 143944225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).