3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine

C23H25N5 — CID 95200679

IUPAC3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine
SMILESCc1cc(-c2c(-c3ccccc3)ncn2[C@H](CC(C)C)c2cccnc2)n[nH]1
InChIInChI=1S/C23H25N5/c1-16(2)12-21(19-10-7-11-24-14-19)28-15-25-22(18-8-5-4-6-9-18)23(28)20-13-17(3)26-27-20/h4-11,13-16,21H,12H2,1-3H3,(H,26,27)/t21-/m1/s1
InChIKeyCQUXHEGAHYNUKT-OAQYLSRUSA-N
MW371.49 g/mol
LogP5.28
Rot. Bonds6

About 3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine

3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine (PubChem CID 95200679) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine.

Molecular Properties

Compound Name3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine
PubChem CID95200679
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine
SMILESCc1cc(-c2c(-c3ccccc3)ncn2[C@H](CC(C)C)c2cccnc2)n[nH]1
InChIInChI=1S/C23H25N5/c1-16(2)12-21(19-10-7-11-24-14-19)28-15-25-22(18-8-5-4-6-9-18)23(28)20-13-17(3)26-27-20/h4-11,13-16,21H,12H2,1-3H3,(H,26,27)/t21-/m1/s1
InChIKeyCQUXHEGAHYNUKT-OAQYLSRUSA-N
XLogP5.28
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol
CID 95120357
1-methyl-5-[(1S)-3-methyl-1-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]butyl]-1,2,4-triazole
CID 95121745
3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine
CID 141365269
(1R)-2-[5-(2-ethoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
CID 95127760
2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
CID 50967271
3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid
CID 70728951
ethane;5-methyl-3-phenyl-1H-pyrazole
CID 144662756
5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
CID 95199657
2-phenyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 177029893
N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine
CID 134697190
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
3-(3-butan-2-ylphenyl)-5-methyl-1H-pyrazole
CID 166536495

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine?
The IUPAC name of 3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine (CID 95200679) is 3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine.
What is the SMILES notation for 3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine?
The canonical SMILES for 3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine is Cc1cc(-c2c(-c3ccccc3)ncn2[C@H](CC(C)C)c2cccnc2)n[nH]1.
What is the InChIKey of 3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine?
The InChIKey is CQUXHEGAHYNUKT-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N5/c1-16(2)12-21(19-10-7-11-24-14-19)28-15-25-22(18-8-5-4-6-9-18)23(28)20-13-17(3)26-27-20/h4-11,13-16,21H,12H2,1-3H3,(H,26,27)/t21-/m1/s1.
What are the key properties of 3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine?
3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine has a molecular weight of 371.49 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine is sourced from PubChem (CID 95200679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).