N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide

C16H18BrN3O2 — CID 16676193

IUPACN-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide
SMILESCn1c(-c2ccc(Br)cc2)cnc1NC(=O)C1(C)CCCO1
InChIInChI=1S/C16H18BrN3O2/c1-16(8-3-9-22-16)14(21)19-15-18-10-13(20(15)2)11-4-6-12(17)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,21)
InChIKeyVOFGUEUIZMVOKP-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.36
Rot. Bonds3

About N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide

N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide (PubChem CID 16676193) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide
PubChem CID16676193
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC NameN-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide
SMILESCn1c(-c2ccc(Br)cc2)cnc1NC(=O)C1(C)CCCO1
InChIInChI=1S/C16H18BrN3O2/c1-16(8-3-9-22-16)14(21)19-15-18-10-13(20(15)2)11-4-6-12(17)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,21)
InChIKeyVOFGUEUIZMVOKP-UHFFFAOYSA-N
XLogP3.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide?
The IUPAC name of N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide (CID 16676193) is N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide is Cn1c(-c2ccc(Br)cc2)cnc1NC(=O)C1(C)CCCO1.
What is the InChIKey of N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide?
The InChIKey is VOFGUEUIZMVOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-16(8-3-9-22-16)14(21)19-15-18-10-13(20(15)2)11-4-6-12(17)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,21).
What are the key properties of N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide?
N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 16676193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).