(4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol

C30H25ClN2O2 — CID 171852762

IUPAC(4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol
SMILESCOc1cc(Cl)ccc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C30H25ClN2O2/c1-35-28-19-25(31)17-18-26(28)29(34)27-20-33(21-32-27)30(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-21,29,34H,1H3
InChIKeyOWKFATCBITVFFN-UHFFFAOYSA-N
MW481.00 g/mol
LogP6.47
Rot. Bonds7

About (4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol

(4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol (PubChem CID 171852762) has the molecular formula C30H25ClN2O2 and a molecular weight of 481.00 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol
PubChem CID171852762
Molecular FormulaC30H25ClN2O2
Molecular Weight481.00 g/mol
Exact Mass480.16
IUPAC Name(4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol
SMILESCOc1cc(Cl)ccc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C30H25ClN2O2/c1-35-28-19-25(31)17-18-26(28)29(34)27-20-33(21-32-27)30(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-21,29,34H,1H3
InChIKeyOWKFATCBITVFFN-UHFFFAOYSA-N
XLogP6.47
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.00
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol (CID 171852762) is (4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol is COc1cc(Cl)ccc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol?
The InChIKey is OWKFATCBITVFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN2O2/c1-35-28-19-25(31)17-18-26(28)29(34)27-20-33(21-32-27)30(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-21,29,34H,1H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol?
(4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol has a molecular weight of 481.00 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(1-tritylimidazol-4-yl)methanol is sourced from PubChem (CID 171852762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).