2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide

C23H28N4O2 — CID 86927857

IUPAC2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C23H28N4O2/c1-3-14-26(18-23(28)25-20-11-7-8-12-21(20)29-2)17-22-24-13-15-27(22)16-19-9-5-4-6-10-19/h4-13,15H,3,14,16-18H2,1-2H3,(H,25,28)
InChIKeyPNEYGVQLFCJBGQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.79
Rot. Bonds10

About 2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide

2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 86927857) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID86927857
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C23H28N4O2/c1-3-14-26(18-23(28)25-20-11-7-8-12-21(20)29-2)17-22-24-13-15-27(22)16-19-9-5-4-6-10-19/h4-13,15H,3,14,16-18H2,1-2H3,(H,25,28)
InChIKeyPNEYGVQLFCJBGQ-UHFFFAOYSA-N
XLogP3.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide
CID 56509258
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 78876975
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 24574878
2-(dipropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818625
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 24534367
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8620896
N-(2-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]-propylamino]acetamide
CID 9200820

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide (CID 86927857) is 2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1OC)Cc1nccn1Cc1ccccc1.
What is the InChIKey of 2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is PNEYGVQLFCJBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-14-26(18-23(28)25-20-11-7-8-12-21(20)29-2)17-22-24-13-15-27(22)16-19-9-5-4-6-10-19/h4-13,15H,3,14,16-18H2,1-2H3,(H,25,28).
What are the key properties of 2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 86927857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).