2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide

C23H25N3O3 — CID 67577363

IUPAC2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide
SMILESCc1nccn1-c1ccc(COC2(c3ccccc3)CC(C(N)=O)CCO2)cc1
InChIInChI=1S/C23H25N3O3/c1-17-25-12-13-26(17)21-9-7-18(8-10-21)16-29-23(20-5-3-2-4-6-20)15-19(22(24)27)11-14-28-23/h2-10,12-13,19H,11,14-16H2,1H3,(H2,24,27)
InChIKeyKITXSBDHTOXVPI-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.46
Rot. Bonds6

About 2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide

2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide (PubChem CID 67577363) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide
PubChem CID67577363
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide
SMILESCc1nccn1-c1ccc(COC2(c3ccccc3)CC(C(N)=O)CCO2)cc1
InChIInChI=1S/C23H25N3O3/c1-17-25-12-13-26(17)21-9-7-18(8-10-21)16-29-23(20-5-3-2-4-6-20)15-19(22(24)27)11-14-28-23/h2-10,12-13,19H,11,14-16H2,1H3,(H2,24,27)
InChIKeyKITXSBDHTOXVPI-UHFFFAOYSA-N
XLogP3.46
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide?
The IUPAC name of 2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide (CID 67577363) is 2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide.
What is the SMILES notation for 2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide?
The canonical SMILES for 2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide is Cc1nccn1-c1ccc(COC2(c3ccccc3)CC(C(N)=O)CCO2)cc1.
What is the InChIKey of 2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide?
The InChIKey is KITXSBDHTOXVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-25-12-13-26(17)21-9-7-18(8-10-21)16-29-23(20-5-3-2-4-6-20)15-19(22(24)27)11-14-28-23/h2-10,12-13,19H,11,14-16H2,1H3,(H2,24,27).
What are the key properties of 2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide?
2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide is sourced from PubChem (CID 67577363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).