2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol

C25H26N4O — CID 137290891

IUPAC2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3ccccc3C)cc(NCCCn3ccnc3)n2)c1
InChIInChI=1S/C25H26N4O/c1-18-8-9-24(30)22(14-18)23-15-20(21-7-4-3-6-19(21)2)16-25(28-23)27-10-5-12-29-13-11-26-17-29/h3-4,6-9,11,13-17,30H,5,10,12H2,1-2H3,(H,27,28)
InChIKeyDDNCBKASHDCMHD-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.44
Rot. Bonds7

About 2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol

2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol (PubChem CID 137290891) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol.

Molecular Properties

Compound Name2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol
PubChem CID137290891
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3ccccc3C)cc(NCCCn3ccnc3)n2)c1
InChIInChI=1S/C25H26N4O/c1-18-8-9-24(30)22(14-18)23-15-20(21-7-4-3-6-19(21)2)16-25(28-23)27-10-5-12-29-13-11-26-17-29/h3-4,6-9,11,13-17,30H,5,10,12H2,1-2H3,(H,27,28)
InChIKeyDDNCBKASHDCMHD-UHFFFAOYSA-N
XLogP5.44
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
CID 4106530
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3610950
2-[4-methyl-6-(3-pyrrol-1-ylpropylamino)pyrimidin-2-yl]phenol
CID 137293753
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
1-[3-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290843
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
N-(3-imidazol-1-ylpropyl)-5-methylpyridazin-3-amine
CID 106549494
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide
CID 137290835
N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine
CID 61313104
1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290617

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol?
The IUPAC name of 2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol (CID 137290891) is 2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol.
What is the SMILES notation for 2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol?
The canonical SMILES for 2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol is Cc1ccc(O)c(-c2cc(-c3ccccc3C)cc(NCCCn3ccnc3)n2)c1.
What is the InChIKey of 2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol?
The InChIKey is DDNCBKASHDCMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-18-8-9-24(30)22(14-18)23-15-20(21-7-4-3-6-19(21)2)16-25(28-23)27-10-5-12-29-13-11-26-17-29/h3-4,6-9,11,13-17,30H,5,10,12H2,1-2H3,(H,27,28).
What are the key properties of 2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol?
2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol has a molecular weight of 398.51 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol is sourced from PubChem (CID 137290891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).