3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide

C22H25N3O — CID 20691713

IUPAC3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCc2ccc(CC3C=NC=N3)cc2)cc1
InChIInChI=1S/C22H25N3O/c1-17-2-4-19(5-3-17)12-13-24-22(26)11-10-18-6-8-20(9-7-18)14-21-15-23-16-25-21/h2-9,15-16,21H,10-14H2,1H3,(H,24,26)
InChIKeyKMEMOYZNIUOQNF-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.31
Rot. Bonds8

About 3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide

3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide (PubChem CID 20691713) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide
PubChem CID20691713
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCc2ccc(CC3C=NC=N3)cc2)cc1
InChIInChI=1S/C22H25N3O/c1-17-2-4-19(5-3-17)12-13-24-22(26)11-10-18-6-8-20(9-7-18)14-21-15-23-16-25-21/h2-9,15-16,21H,10-14H2,1H3,(H,24,26)
InChIKeyKMEMOYZNIUOQNF-UHFFFAOYSA-N
XLogP3.31
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(4-phenylphenyl)acetamide
CID 2530160
N-(1-benzylpropyl)-3-phenylpropanamide
CID 2975156
N-butan-2-yl-2-(4-phenylphenyl)acetamide
CID 3926947
N-(1-methyl-3-phenylpropyl)-2-phenylacetamide
CID 2901355
2-(4-methylphenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 2937998
2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide
CID 2195498
(2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide
CID 24882666
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[4-(4-butylphenyl)phenyl]-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 44439064
(2S)-6-amino-N-[(2S)-6-amino-1-[4-(diaminomethylideneamino)butylamino]-1-oxohexan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CID 53327799
N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide
CID 118398514
2-(4-phenylphenyl)-N-propan-2-ylacetamide
CID 23548838
H-Arg-Bip-Arg-NHiPr
CID 16735825

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide (CID 20691713) is 3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide is Cc1ccc(CCNC(=O)CCc2ccc(CC3C=NC=N3)cc2)cc1.
What is the InChIKey of 3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is KMEMOYZNIUOQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-2-4-19(5-3-17)12-13-24-22(26)11-10-18-6-8-20(9-7-18)14-21-15-23-16-25-21/h2-9,15-16,21H,10-14H2,1H3,(H,24,26).
What are the key properties of 3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide?
3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4H-imidazol-4-ylmethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 20691713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).