2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide

C19H20BrN3O — CID 53362137

IUPAC2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide
SMILESCN1CCN(C)C1=NC(=O)C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrN3O/c1-22-12-13-23(2)19(22)21-18(24)17(14-6-4-3-5-7-14)15-8-10-16(20)11-9-15/h3-11,17H,12-13H2,1-2H3
InChIKeyRSNNTUWUQSLZRJ-UHFFFAOYSA-N
MW386.29 g/mol
LogP3.34
Rot. Bonds3

About 2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide

2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide (PubChem CID 53362137) has the molecular formula C19H20BrN3O and a molecular weight of 386.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide
PubChem CID53362137
Molecular FormulaC19H20BrN3O
Molecular Weight386.29 g/mol
Exact Mass385.08
IUPAC Name2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide
SMILESCN1CCN(C)C1=NC(=O)C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrN3O/c1-22-12-13-23(2)19(22)21-18(24)17(14-6-4-3-5-7-14)15-8-10-16(20)11-9-15/h3-11,17H,12-13H2,1-2H3
InChIKeyRSNNTUWUQSLZRJ-UHFFFAOYSA-N
XLogP3.34
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2,2-diphenylacetamide
CID 4626147
1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine
CID 101094846
N-(1-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide
CID 1284800
2-(4-bromophenyl)-3,3-dimethylbutanoic acid
CID 67987841
N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide
CID 42388165
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
CID 53217465
(2R)-1-[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 92769934
1-[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 92760743
2-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]acetic acid;dihydrochloride
CID 68930763
2,2-diphenyl-1-trimethylsilylethanone
CID 15905987

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide (CID 53362137) is 2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide is CN1CCN(C)C1=NC(=O)C(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide?
The InChIKey is RSNNTUWUQSLZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O/c1-22-12-13-23(2)19(22)21-18(24)17(14-6-4-3-5-7-14)15-8-10-16(20)11-9-15/h3-11,17H,12-13H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide?
2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide has a molecular weight of 386.29 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide is sourced from PubChem (CID 53362137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).