(2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol

C20H22N2O2 — CID 95126287

IUPAC(2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol
SMILESCc1cccc(C)c1-c1c(-c2ccccc2)ncn1C[C@H](O)CO
InChIInChI=1S/C20H22N2O2/c1-14-7-6-8-15(2)18(14)20-19(16-9-4-3-5-10-16)21-13-22(20)11-17(24)12-23/h3-10,13,17,23-24H,11-12H2,1-2H3/t17-/m0/s1
InChIKeyPJOPDNQZZHFMLH-KRWDZBQOSA-N
MW322.41 g/mol
LogP3.19
Rot. Bonds5

About (2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol

(2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol (PubChem CID 95126287) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol
PubChem CID95126287
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol
SMILESCc1cccc(C)c1-c1c(-c2ccccc2)ncn1C[C@H](O)CO
InChIInChI=1S/C20H22N2O2/c1-14-7-6-8-15(2)18(14)20-19(16-9-4-3-5-10-16)21-13-22(20)11-17(24)12-23/h3-10,13,17,23-24H,11-12H2,1-2H3/t17-/m0/s1
InChIKeyPJOPDNQZZHFMLH-KRWDZBQOSA-N
XLogP3.19
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-carbazol-9-yl-3-(4,5-diphenylimidazol-1-yl)propan-2-ol
CID 2836174
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CID 11850984
7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 3435586
(2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol
CID 95138308
(2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol
CID 95124168
(2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol
CID 95128424
4,5-diphenyl-1-propylimidazole
CID 14950648
3-(2-methylpropyl)-5-phenylimidazol-4-amine
CID 62017938
9-[(2R)-3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 40927037
2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
CID 50967271
4-[3-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-phenylimidazol-4-yl]phenol
CID 95120001
2-[5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-4-phenylimidazol-1-yl]ethanol
CID 50953740

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol?
The IUPAC name of (2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol (CID 95126287) is (2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol?
The canonical SMILES for (2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol is Cc1cccc(C)c1-c1c(-c2ccccc2)ncn1C[C@H](O)CO.
What is the InChIKey of (2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol?
The InChIKey is PJOPDNQZZHFMLH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-7-6-8-15(2)18(14)20-19(16-9-4-3-5-10-16)21-13-22(20)11-17(24)12-23/h3-10,13,17,23-24H,11-12H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol?
(2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol has a molecular weight of 322.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 95126287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).