N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide

C22H24ClN3O — CID 42819032

IUPACN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide
SMILESCCN(Cc1nccn1Cc1cccc(Cl)c1)C(=O)CCc1ccccc1
InChIInChI=1S/C22H24ClN3O/c1-2-25(22(27)12-11-18-7-4-3-5-8-18)17-21-24-13-14-26(21)16-19-9-6-10-20(23)15-19/h3-10,13-15H,2,11-12,16-17H2,1H3
InChIKeyZPPRWFMEZJGCPK-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.57
Rot. Bonds8

About N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide

N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide (PubChem CID 42819032) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide
PubChem CID42819032
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide
SMILESCCN(Cc1nccn1Cc1cccc(Cl)c1)C(=O)CCc1ccccc1
InChIInChI=1S/C22H24ClN3O/c1-2-25(22(27)12-11-18-7-4-3-5-8-18)17-21-24-13-14-26(21)16-19-9-6-10-20(23)15-19/h3-10,13-15H,2,11-12,16-17H2,1H3
InChIKeyZPPRWFMEZJGCPK-UHFFFAOYSA-N
XLogP4.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-3-phenylpropanamide
CID 5027042
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 42819003
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 144709444
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 42819048
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 42819044
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
(1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate
CID 78858610
N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide
CID 42819585
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide
CID 55121332

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide (CID 42819032) is N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide is CCN(Cc1nccn1Cc1cccc(Cl)c1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide?
The InChIKey is ZPPRWFMEZJGCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-2-25(22(27)12-11-18-7-4-3-5-8-18)17-21-24-13-14-26(21)16-19-9-6-10-20(23)15-19/h3-10,13-15H,2,11-12,16-17H2,1H3.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide?
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide has a molecular weight of 381.91 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide is sourced from PubChem (CID 42819032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).