N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide

C22H25N3O3 — CID 55766270

IUPACN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(OCc3nccn3C)cc2)c1
InChIInChI=1S/C22H25N3O3/c1-16(2)14-27-20-6-4-5-17(13-20)22(26)24-18-7-9-19(10-8-18)28-15-21-23-11-12-25(21)3/h4-13,16H,14-15H2,1-3H3,(H,24,26)
InChIKeyQLHJQTOORMZPMY-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.29
Rot. Bonds8

About N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide

N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide (PubChem CID 55766270) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide
PubChem CID55766270
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(OCc3nccn3C)cc2)c1
InChIInChI=1S/C22H25N3O3/c1-16(2)14-27-20-6-4-5-17(13-20)22(26)24-18-7-9-19(10-8-18)28-15-21-23-11-12-25(21)3/h4-13,16H,14-15H2,1-3H3,(H,24,26)
InChIKeyQLHJQTOORMZPMY-UHFFFAOYSA-N
XLogP4.29
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55855139
3,5-dichloro-4-methoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55766590
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
CID 39862674
N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736367
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56518850
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide (CID 55766270) is N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)Nc2ccc(OCc3nccn3C)cc2)c1.
What is the InChIKey of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is QLHJQTOORMZPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(2)14-27-20-6-4-5-17(13-20)22(26)24-18-7-9-19(10-8-18)28-15-21-23-11-12-25(21)3/h4-13,16H,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide?
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide has a molecular weight of 379.46 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 55766270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).