3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide

C20H22N4O — CID 18112933

IUPAC3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(N(C)C)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H22N4O/c1-15(16-7-9-18(10-8-16)24-12-11-21-14-24)22-20(25)17-5-4-6-19(13-17)23(2)3/h4-15H,1-3H3,(H,22,25)
InChIKeyIEQIJVSKLWYNBC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.43
Rot. Bonds5

About 3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide

3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide (PubChem CID 18112933) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
PubChem CID18112933
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(N(C)C)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H22N4O/c1-15(16-7-9-18(10-8-16)24-12-11-21-14-24)22-20(25)17-5-4-6-19(13-17)23(2)3/h4-15H,1-3H3,(H,22,25)
InChIKeyIEQIJVSKLWYNBC-UHFFFAOYSA-N
XLogP3.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide (CID 18112933) is 3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide is CC(NC(=O)c1cccc(N(C)C)c1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is IEQIJVSKLWYNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(16-7-9-18(10-8-16)24-12-11-21-14-24)22-20(25)17-5-4-6-19(13-17)23(2)3/h4-15H,1-3H3,(H,22,25).
What are the key properties of 3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 18112933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).