2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol

C19H24N4O — CID 132606882

IUPAC2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol
SMILESCCc1nc(C(c2ccccc2O)c2nc(CC)[nH]c2C)c(C)[nH]1
InChIInChI=1S/C19H24N4O/c1-5-15-20-11(3)18(22-15)17(13-9-7-8-10-14(13)24)19-12(4)21-16(6-2)23-19/h7-10,17,24H,5-6H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyMPIIDLKQDIMYMG-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.76
Rot. Bonds5

About 2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol

2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol (PubChem CID 132606882) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol
PubChem CID132606882
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol
SMILESCCc1nc(C(c2ccccc2O)c2nc(CC)[nH]c2C)c(C)[nH]1
InChIInChI=1S/C19H24N4O/c1-5-15-20-11(3)18(22-15)17(13-9-7-8-10-14(13)24)19-12(4)21-16(6-2)23-19/h7-10,17,24H,5-6H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyMPIIDLKQDIMYMG-UHFFFAOYSA-N
XLogP3.76
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol?
The IUPAC name of 2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol (CID 132606882) is 2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol.
What is the SMILES notation for 2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol?
The canonical SMILES for 2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol is CCc1nc(C(c2ccccc2O)c2nc(CC)[nH]c2C)c(C)[nH]1.
What is the InChIKey of 2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol?
The InChIKey is MPIIDLKQDIMYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-5-15-20-11(3)18(22-15)17(13-9-7-8-10-14(13)24)19-12(4)21-16(6-2)23-19/h7-10,17,24H,5-6H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol?
2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol has a molecular weight of 324.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]phenol is sourced from PubChem (CID 132606882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).