3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol

C23H24N4O — CID 95121611

IUPAC3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol
SMILESCc1nn(C)c(C)c1[C@H](C)n1cnc(-c2ccccc2)c1-c1cccc(O)c1
InChIInChI=1S/C23H24N4O/c1-15-21(16(2)26(4)25-15)17(3)27-14-24-22(18-9-6-5-7-10-18)23(27)19-11-8-12-20(28)13-19/h5-14,17,28H,1-4H3/t17-/m0/s1
InChIKeyWOAZGDLSQXNERQ-KRWDZBQOSA-N
MW372.47 g/mol
LogP4.88
Rot. Bonds4

About 3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol

3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol (PubChem CID 95121611) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol.

Molecular Properties

Compound Name3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol
PubChem CID95121611
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol
SMILESCc1nn(C)c(C)c1[C@H](C)n1cnc(-c2ccccc2)c1-c1cccc(O)c1
InChIInChI=1S/C23H24N4O/c1-15-21(16(2)26(4)25-15)17(3)27-14-24-22(18-9-6-5-7-10-18)23(27)19-11-8-12-20(28)13-19/h5-14,17,28H,1-4H3/t17-/m0/s1
InChIKeyWOAZGDLSQXNERQ-KRWDZBQOSA-N
XLogP4.88
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol
CID 95121827
4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol
CID 95120357
4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole
CID 95121622
3-[5-phenyl-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazol-4-yl]benzonitrile
CID 95208800
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
CID 95190090
4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine
CID 50966733
1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone
CID 139841121
5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole
CID 95131006
(2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97065122
5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
CID 95199657
4-phenyl-1,5-di(propan-2-yl)imidazole
CID 167225252

Frequently Asked Questions

What is the IUPAC name of 3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol?
The IUPAC name of 3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol (CID 95121611) is 3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol.
What is the SMILES notation for 3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol?
The canonical SMILES for 3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol is Cc1nn(C)c(C)c1[C@H](C)n1cnc(-c2ccccc2)c1-c1cccc(O)c1.
What is the InChIKey of 3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol?
The InChIKey is WOAZGDLSQXNERQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15-21(16(2)26(4)25-15)17(3)27-14-24-22(18-9-6-5-7-10-18)23(27)19-11-8-12-20(28)13-19/h5-14,17,28H,1-4H3/t17-/m0/s1.
What are the key properties of 3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol?
3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol has a molecular weight of 372.47 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol is sourced from PubChem (CID 95121611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).