(3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol

C19H19ClN2O — CID 13247697

IUPAC(3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc(Cl)cc(-n3ccnc3)c2)c(C)c1
InChIInChI=1S/C19H19ClN2O/c1-12-6-13(2)18(14(3)7-12)19(23)15-8-16(20)10-17(9-15)22-5-4-21-11-22/h4-11,19,23H,1-3H3
InChIKeySBTXUPCXDCBNRJ-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.53
Rot. Bonds3

About (3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol

(3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol (PubChem CID 13247697) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is (3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol
PubChem CID13247697
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name(3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc(Cl)cc(-n3ccnc3)c2)c(C)c1
InChIInChI=1S/C19H19ClN2O/c1-12-6-13(2)18(14(3)7-12)19(23)15-8-16(20)10-17(9-15)22-5-4-21-11-22/h4-11,19,23H,1-3H3
InChIKeySBTXUPCXDCBNRJ-UHFFFAOYSA-N
XLogP4.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol?
The IUPAC name of (3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol (CID 13247697) is (3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for (3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for (3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2cc(Cl)cc(-n3ccnc3)c2)c(C)c1.
What is the InChIKey of (3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol?
The InChIKey is SBTXUPCXDCBNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-12-6-13(2)18(14(3)7-12)19(23)15-8-16(20)10-17(9-15)22-5-4-21-11-22/h4-11,19,23H,1-3H3.
What are the key properties of (3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol?
(3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol has a molecular weight of 326.83 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 13247697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).