4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide

C21H27N3O — CID 142177131

IUPAC4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide
SMILESCc1ccc(C(=O)NCC2CN(CCCc3ccccc3)CN2)cc1
InChIInChI=1S/C21H27N3O/c1-17-9-11-19(12-10-17)21(25)22-14-20-15-24(16-23-20)13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,20,23H,5,8,13-16H2,1H3,(H,22,25)
InChIKeyCQOKRPBXRJANMR-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.59
Rot. Bonds7

About 4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide

4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide (PubChem CID 142177131) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide
PubChem CID142177131
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide
SMILESCc1ccc(C(=O)NCC2CN(CCCc3ccccc3)CN2)cc1
InChIInChI=1S/C21H27N3O/c1-17-9-11-19(12-10-17)21(25)22-14-20-15-24(16-23-20)13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,20,23H,5,8,13-16H2,1H3,(H,22,25)
InChIKeyCQOKRPBXRJANMR-UHFFFAOYSA-N
XLogP2.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide
CID 58933512
4-methyl-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide;1-phenylprop-2-yn-1-one
CID 142177119
4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26344101
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984294
4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881195
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 110202536
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]-N-(3-phenylpropyl)benzamide
CID 50790852

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide?
The IUPAC name of 4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide (CID 142177131) is 4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide is Cc1ccc(C(=O)NCC2CN(CCCc3ccccc3)CN2)cc1.
What is the InChIKey of 4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide?
The InChIKey is CQOKRPBXRJANMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17-9-11-19(12-10-17)21(25)22-14-20-15-24(16-23-20)13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,20,23H,5,8,13-16H2,1H3,(H,22,25).
What are the key properties of 4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide?
4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide has a molecular weight of 337.47 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide is sourced from PubChem (CID 142177131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).