4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

C22H25N3O2 — CID 35859104

IUPAC4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-3-14-27-21-10-8-20(9-11-21)22(26)24-15-18-4-6-19(7-5-18)16-25-13-12-23-17-25/h4-13,17H,2-3,14-16H2,1H3,(H,24,26)
InChIKeySHNBFMSRZSAGBC-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.04
Rot. Bonds9

About 4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 35859104) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID35859104
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-3-14-27-21-10-8-20(9-11-21)22(26)24-15-18-4-6-19(7-5-18)16-25-13-12-23-17-25/h4-13,17H,2-3,14-16H2,1H3,(H,24,26)
InChIKeySHNBFMSRZSAGBC-UHFFFAOYSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-nitrobenzamide
CID 37426924
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907094
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 86844740

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (CID 35859104) is 4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is CCCCOc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is SHNBFMSRZSAGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-3-14-27-21-10-8-20(9-11-21)22(26)24-15-18-4-6-19(7-5-18)16-25-13-12-23-17-25/h4-13,17H,2-3,14-16H2,1H3,(H,24,26).
What are the key properties of 4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 35859104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).