4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide

C23H27N3O2 — CID 46776651

IUPAC4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C23H27N3O2/c1-17(2)14-22(19-8-10-21(28-3)11-9-19)25-23(27)20-6-4-18(5-7-20)15-26-13-12-24-16-26/h4-13,16-17,22H,14-15H2,1-3H3,(H,25,27)
InChIKeyFEOGDBKKRDVDRM-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.46
Rot. Bonds8

About 4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide

4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide (PubChem CID 46776651) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
PubChem CID46776651
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C23H27N3O2/c1-17(2)14-22(19-8-10-21(28-3)11-9-19)25-23(27)20-6-4-18(5-7-20)15-26-13-12-24-16-26/h4-13,16-17,22H,14-15H2,1-3H3,(H,25,27)
InChIKeyFEOGDBKKRDVDRM-UHFFFAOYSA-N
XLogP4.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94867540
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875821
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 86991062
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide (CID 46776651) is 4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide is COc1ccc(C(CC(C)C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The InChIKey is FEOGDBKKRDVDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17(2)14-22(19-8-10-21(28-3)11-9-19)25-23(27)20-6-4-18(5-7-20)15-26-13-12-24-16-26/h4-13,16-17,22H,14-15H2,1-3H3,(H,25,27).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide is sourced from PubChem (CID 46776651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).