1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol

C20H21ClN2O2 — CID 70525917

IUPAC1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol
SMILESCc1nccn1CCCC(O)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-15-22-12-14-23(15)13-2-3-20(24)16-4-8-18(9-5-16)25-19-10-6-17(21)7-11-19/h4-12,14,20,24H,2-3,13H2,1H3
InChIKeyODAYRFDDPIXRKW-UHFFFAOYSA-N
MW356.85 g/mol
LogP5.15
Rot. Bonds7

About 1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol

1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol (PubChem CID 70525917) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol
PubChem CID70525917
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol
SMILESCc1nccn1CCCC(O)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-15-22-12-14-23(15)13-2-3-20(24)16-4-8-18(9-5-16)25-19-10-6-17(21)7-11-19/h4-12,14,20,24H,2-3,13H2,1H3
InChIKeyODAYRFDDPIXRKW-UHFFFAOYSA-N
XLogP5.15
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.85
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol?
The IUPAC name of 1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol (CID 70525917) is 1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol.
What is the SMILES notation for 1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol?
The canonical SMILES for 1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol is Cc1nccn1CCCC(O)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol?
The InChIKey is ODAYRFDDPIXRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-15-22-12-14-23(15)13-2-3-20(24)16-4-8-18(9-5-16)25-19-10-6-17(21)7-11-19/h4-12,14,20,24H,2-3,13H2,1H3.
What are the key properties of 1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol?
1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol has a molecular weight of 356.85 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol is sourced from PubChem (CID 70525917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).