2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide

C19H18IN3O — CID 166629583

IUPAC2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C19H18IN3O/c1-22(18(24)13-23-12-11-21-14-23)19(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-12,14,19H,13H2,1H3
InChIKeyKISGXLQGERLHKY-UHFFFAOYSA-N
MW431.28 g/mol
LogP3.74
Rot. Bonds5

About 2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide

2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide (PubChem CID 166629583) has the molecular formula C19H18IN3O and a molecular weight of 431.28 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide
PubChem CID166629583
Molecular FormulaC19H18IN3O
Molecular Weight431.28 g/mol
Exact Mass431.05
IUPAC Name2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C19H18IN3O/c1-22(18(24)13-23-12-11-21-14-23)19(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-12,14,19H,13H2,1H3
InChIKeyKISGXLQGERLHKY-UHFFFAOYSA-N
XLogP3.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide?
The IUPAC name of 2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide (CID 166629583) is 2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide?
The canonical SMILES for 2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide is CN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccc(I)cc1.
What is the InChIKey of 2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide?
The InChIKey is KISGXLQGERLHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN3O/c1-22(18(24)13-23-12-11-21-14-23)19(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-12,14,19H,13H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide?
2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide has a molecular weight of 431.28 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(4-iodophenyl)-phenylmethyl]-N-methylacetamide is sourced from PubChem (CID 166629583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).