3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride

C22H28Cl2N4O — CID 120613454

IUPAC3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)NCc1nccn1CCCc1ccccc1
InChIInChI=1S/C22H26N4O.2ClH/c23-20-11-5-4-10-19(20)12-13-22(27)25-17-21-24-14-16-26(21)15-6-9-18-7-2-1-3-8-18;;/h1-5,7-8,10-11,14,16H,6,9,12-13,15,17,23H2,(H,25,27);2*1H
InChIKeyXSCQQKZIYSNYSZ-UHFFFAOYSA-N
MW435.40 g/mol
LogP4.19
Rot. Bonds9

About 3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride

3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride (PubChem CID 120613454) has the molecular formula C22H28Cl2N4O and a molecular weight of 435.40 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
PubChem CID120613454
Molecular FormulaC22H28Cl2N4O
Molecular Weight435.40 g/mol
Exact Mass434.16
IUPAC Name3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)NCc1nccn1CCCc1ccccc1
InChIInChI=1S/C22H26N4O.2ClH/c23-20-11-5-4-10-19(20)12-13-22(27)25-17-21-24-14-16-26(21)15-6-9-18-7-2-1-3-8-18;;/h1-5,7-8,10-11,14,16H,6,9,12-13,15,17,23H2,(H,25,27);2*1H
InChIKeyXSCQQKZIYSNYSZ-UHFFFAOYSA-N
XLogP4.19
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597418
2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 119898590
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea
CID 154766739
1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71923566
3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
CID 120610401
2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597422
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 71975235
2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647670
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 71975238

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride (CID 120613454) is 3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride is Cl.Cl.Nc1ccccc1CCC(=O)NCc1nccn1CCCc1ccccc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride?
The InChIKey is XSCQQKZIYSNYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O.2ClH/c23-20-11-5-4-10-19(20)12-13-22(27)25-17-21-24-14-16-26(21)15-6-9-18-7-2-1-3-8-18;;/h1-5,7-8,10-11,14,16H,6,9,12-13,15,17,23H2,(H,25,27);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride?
3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride has a molecular weight of 435.40 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 120613454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).