4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol

C27H27F3N3O2Si+ — CID 137153981

IUPAC4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(-c3ccc(O)cc3)nc2)nc(C(F)(F)F)c1C1=CC=[C+]C=C1
InChIInChI=1S/C27H26F3N3O2Si/c1-36(2,3)16-15-35-18-33-24(20-7-5-4-6-8-20)25(27(28,29)30)32-26(33)21-11-14-23(31-17-21)19-9-12-22(34)13-10-19/h5-14,17H,15-16,18H2,1-3H3/p+1
InChIKeyBVLWNJCYIBMVMQ-UHFFFAOYSA-O
MW510.61 g/mol
LogP6.96
Rot. Bonds8

About 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol

4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (PubChem CID 137153981) has the molecular formula C27H27F3N3O2Si+ and a molecular weight of 510.61 g/mol. Its IUPAC name is 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
PubChem CID137153981
Molecular FormulaC27H27F3N3O2Si+
Molecular Weight510.61 g/mol
Exact Mass510.18
IUPAC Name4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(-c3ccc(O)cc3)nc2)nc(C(F)(F)F)c1C1=CC=[C+]C=C1
InChIInChI=1S/C27H26F3N3O2Si/c1-36(2,3)16-15-35-18-33-24(20-7-5-4-6-8-20)25(27(28,29)30)32-26(33)21-11-14-23(31-17-21)19-9-12-22(34)13-10-19/h5-14,17H,15-16,18H2,1-3H3/p+1
InChIKeyBVLWNJCYIBMVMQ-UHFFFAOYSA-O
XLogP6.96
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.61
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Sb-202190
CID 5169
4-Imidazo[1,2-a]pyridin-2-yl-phenol
CID 16682232
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
4-[[5-(4-Fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
CID 11347754
5-Imidazol-1-ylmethyl-2-(4-methoxy-phenyl)pyridine
CID 44456190
4-[3-[4-(Dimethylamino)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenol
CID 117769710
6-[4-(Difluoromethoxy)phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179613
4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenol
CID 134179819
4-(2-Phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-phenol
CID 135513879
2-Fluoro-4-(5-imidazol-1-ylmethyl-pyridin-2-yl)-phenol
CID 136008115
4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol
CID 136242884
4-[6-[4-(4-Isopropyl-piperazin-1-yl)phenyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 137001370

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The IUPAC name of 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (CID 137153981) is 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The canonical SMILES for 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is C[Si](C)(C)CCOCn1c(-c2ccc(-c3ccc(O)cc3)nc2)nc(C(F)(F)F)c1C1=CC=[C+]C=C1.
What is the InChIKey of 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The InChIKey is BVLWNJCYIBMVMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H26F3N3O2Si/c1-36(2,3)16-15-35-18-33-24(20-7-5-4-6-8-20)25(27(28,29)30)32-26(33)21-11-14-23(31-17-21)19-9-12-22(34)13-10-19/h5-14,17H,15-16,18H2,1-3H3/p+1.
What are the key properties of 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol has a molecular weight of 510.61 g/mol, XLogP of 6.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 137153981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).