4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol

C27H29N3O3 — CID 135727357

IUPAC4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc(-c3ccccc3N(C)C)c(CCc3ccccc3)[nH]2)cc(OC)c1O
InChIInChI=1S/C27H29N3O3/c1-30(2)22-13-9-8-12-20(22)25-21(15-14-18-10-6-5-7-11-18)28-27(29-25)19-16-23(32-3)26(31)24(17-19)33-4/h5-13,16-17,31H,14-15H2,1-4H3,(H,28,29)
InChIKeyCMIBKQHMBMWPOV-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.32
Rot. Bonds8

About 4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol

4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol (PubChem CID 135727357) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
PubChem CID135727357
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc(-c3ccccc3N(C)C)c(CCc3ccccc3)[nH]2)cc(OC)c1O
InChIInChI=1S/C27H29N3O3/c1-30(2)22-13-9-8-12-20(22)25-21(15-14-18-10-6-5-7-11-18)28-27(29-25)19-16-23(32-3)26(31)24(17-19)33-4/h5-13,16-17,31H,14-15H2,1-4H3,(H,28,29)
InChIKeyCMIBKQHMBMWPOV-UHFFFAOYSA-N
XLogP5.32
TPSA70.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
CID 135621440
4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,6-dimethoxyphenol
CID 154667096
[2-(4-fluorophenyl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]methanol
CID 59384881
4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol
CID 82958062
2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135473929
4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol
CID 143193670
4,5-dimethoxy-2-(2-phenylethyl)phenol
CID 174923457
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2,6-dimethoxyphenol
CID 136776464
4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol
CID 136663190
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
CID 135452683
2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
CID 137168890

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol (CID 135727357) is 4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol is COc1cc(-c2nc(-c3ccccc3N(C)C)c(CCc3ccccc3)[nH]2)cc(OC)c1O.
What is the InChIKey of 4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
The InChIKey is CMIBKQHMBMWPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-30(2)22-13-9-8-12-20(22)25-21(15-14-18-10-6-5-7-11-18)28-27(29-25)19-16-23(32-3)26(31)24(17-19)33-4/h5-13,16-17,31H,14-15H2,1-4H3,(H,28,29).
What are the key properties of 4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol has a molecular weight of 443.55 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135727357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).