3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol

C23H21N3O — CID 95121827

IUPAC3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol
SMILESCc1ccc([C@H](C)n2cnc(-c3ccccc3)c2-c2cccc(O)c2)nc1
InChIInChI=1S/C23H21N3O/c1-16-11-12-21(24-14-16)17(2)26-15-25-22(18-7-4-3-5-8-18)23(26)19-9-6-10-20(27)13-19/h3-15,17,27H,1-2H3/t17-/m0/s1
InChIKeyWDJHKJHQYRULQY-KRWDZBQOSA-N
MW355.44 g/mol
LogP5.24
Rot. Bonds4

About 3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol

3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol (PubChem CID 95121827) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol.

Molecular Properties

Compound Name3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol
PubChem CID95121827
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol
SMILESCc1ccc([C@H](C)n2cnc(-c3ccccc3)c2-c2cccc(O)c2)nc1
InChIInChI=1S/C23H21N3O/c1-16-11-12-21(24-14-16)17(2)26-15-25-22(18-7-4-3-5-8-18)23(26)19-9-6-10-20(27)13-19/h3-15,17,27H,1-2H3/t17-/m0/s1
InChIKeyWDJHKJHQYRULQY-KRWDZBQOSA-N
XLogP5.24
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol
CID 95121611
4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol
CID 95120357
4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine
CID 50966733
3-[5-phenyl-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazol-4-yl]benzonitrile
CID 95208800
5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
CID 95190090
1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone
CID 139841121
3-(2,4-dimethylphenyl)phenol
CID 53218508
5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole
CID 95131006
4-phenyl-1,5-di(propan-2-yl)imidazole
CID 167225252
5-methyl-2-(4-methylphenyl)-3-phenylpyridine
CID 142961722
5-(3,5-difluoro-4-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-4-phenylimidazole
CID 50966339
(2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide
CID 95141785

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol?
The IUPAC name of 3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol (CID 95121827) is 3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol.
What is the SMILES notation for 3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol?
The canonical SMILES for 3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol is Cc1ccc([C@H](C)n2cnc(-c3ccccc3)c2-c2cccc(O)c2)nc1.
What is the InChIKey of 3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol?
The InChIKey is WDJHKJHQYRULQY-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16-11-12-21(24-14-16)17(2)26-15-25-22(18-7-4-3-5-8-18)23(26)19-9-6-10-20(27)13-19/h3-15,17,27H,1-2H3/t17-/m0/s1.
What are the key properties of 3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol?
3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol has a molecular weight of 355.44 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol is sourced from PubChem (CID 95121827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).