3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide

C22H24ClN3O — CID 67750367

IUPAC3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide
SMILESCC(C)(NC(=O)CCc1ncc(Cc2ccccc2)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O/c1-22(2,17-8-10-18(23)11-9-17)26-21(27)13-12-20-24-15-19(25-20)14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyYYJLUWWLKPYZGJ-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.64
Rot. Bonds7

About 3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide

3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide (PubChem CID 67750367) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide
PubChem CID67750367
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide
SMILESCC(C)(NC(=O)CCc1ncc(Cc2ccccc2)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O/c1-22(2,17-8-10-18(23)11-9-17)26-21(27)13-12-20-24-15-19(25-20)14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyYYJLUWWLKPYZGJ-UHFFFAOYSA-N
XLogP4.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide?
The IUPAC name of 3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide (CID 67750367) is 3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide?
The canonical SMILES for 3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide is CC(C)(NC(=O)CCc1ncc(Cc2ccccc2)[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide?
The InChIKey is YYJLUWWLKPYZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-22(2,17-8-10-18(23)11-9-17)26-21(27)13-12-20-24-15-19(25-20)14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide?
3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide has a molecular weight of 381.91 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide is sourced from PubChem (CID 67750367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).