N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide

C27H26ClN3O2 — CID 70473677

IUPACN-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccc(OC(CCc2ccc(Cl)cc2)Cn2ccnc2)cc1
InChIInChI=1S/C27H26ClN3O2/c1-30(27(32)22-5-3-2-4-6-22)24-12-15-25(16-13-24)33-26(19-31-18-17-29-20-31)14-9-21-7-10-23(28)11-8-21/h2-8,10-13,15-18,20,26H,9,14,19H2,1H3
InChIKeyVHHAUVWJVMLRIC-UHFFFAOYSA-N
MW459.98 g/mol
LogP5.89
Rot. Bonds9

About N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide

N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide (PubChem CID 70473677) has the molecular formula C27H26ClN3O2 and a molecular weight of 459.98 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide
PubChem CID70473677
Molecular FormulaC27H26ClN3O2
Molecular Weight459.98 g/mol
Exact Mass459.17
IUPAC NameN-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccc(OC(CCc2ccc(Cl)cc2)Cn2ccnc2)cc1
InChIInChI=1S/C27H26ClN3O2/c1-30(27(32)22-5-3-2-4-6-22)24-12-15-25(16-13-24)33-26(19-31-18-17-29-20-31)14-9-21-7-10-23(28)11-8-21/h2-8,10-13,15-18,20,26H,9,14,19H2,1H3
InChIKeyVHHAUVWJVMLRIC-UHFFFAOYSA-N
XLogP5.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.98
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N,N-dimethylpiperazine-1-carbothioamide
CID 54008561
4-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]piperazine-1-carbothioamide
CID 54317488
1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole
CID 70554769
(1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate
CID 2827447
N-[2-(4-chlorophenoxy)-5-imidazol-1-ylpentyl]acetamide
CID 67651567
N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide
CID 67151519
N-[4-(3-amino-4-hydroxybutyl)phenyl]-4-chloro-N-methylbenzamide
CID 67151520
sodium;4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylbenzoic acid;hydride
CID 173353595
N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide
CID 59720906
1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole
CID 70554395
1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole
CID 23457747
1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole
CID 70552342

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide (CID 70473677) is N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide is CN(C(=O)c1ccccc1)c1ccc(OC(CCc2ccc(Cl)cc2)Cn2ccnc2)cc1.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide?
The InChIKey is VHHAUVWJVMLRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O2/c1-30(27(32)22-5-3-2-4-6-22)24-12-15-25(16-13-24)33-26(19-31-18-17-29-20-31)14-9-21-7-10-23(28)11-8-21/h2-8,10-13,15-18,20,26H,9,14,19H2,1H3.
What are the key properties of N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide?
N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide has a molecular weight of 459.98 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide is sourced from PubChem (CID 70473677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).