4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide

C25H22N4O4 — CID 56548654

IUPAC4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
SMILESCn1ccnc1COc1ccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C25H22N4O4/c1-29-15-14-27-23(29)16-32-20-12-6-19(7-13-20)28-25(31)18-4-10-22(11-5-18)33-21-8-2-17(3-9-21)24(26)30/h2-15H,16H2,1H3,(H2,26,30)(H,28,31)
InChIKeyNIOBSCRHXBSXGR-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.14
Rot. Bonds8

About 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide

4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide (PubChem CID 56548654) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
PubChem CID56548654
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
SMILESCn1ccnc1COc1ccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C25H22N4O4/c1-29-15-14-27-23(29)16-32-20-12-6-19(7-13-20)28-25(31)18-4-10-22(11-5-18)33-21-8-2-17(3-9-21)24(26)30/h2-15H,16H2,1H3,(H2,26,30)(H,28,31)
InChIKeyNIOBSCRHXBSXGR-UHFFFAOYSA-N
XLogP4.14
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide with MolForge

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Related Compounds

N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide
CID 56506638
3,5-dichloro-4-methoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55766590
N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736367
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946
N-cyclohexyl-N-methyl-4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzamide
CID 55920263
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56518850
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide
CID 55766270
4-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenoxy]benzamide
CID 56548979
4-[(1-methylimidazol-2-yl)methoxy]-N-(2-propan-2-yloxyphenyl)benzamide
CID 55873336

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide (CID 56548654) is 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide is Cn1ccnc1COc1ccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide?
The InChIKey is NIOBSCRHXBSXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-29-15-14-27-23(29)16-32-20-12-6-19(7-13-20)28-25(31)18-4-10-22(11-5-18)33-21-8-2-17(3-9-21)24(26)30/h2-15H,16H2,1H3,(H2,26,30)(H,28,31).
What are the key properties of 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide?
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide has a molecular weight of 442.48 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56548654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).