methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

C11H11Cl2N3O2 — CID 22756544

IUPACmethyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C11H11Cl2N3O2/c1-18-11(17)16-10-14-5-9(15-10)7-3-2-6(12)4-8(7)13/h2-4,9H,5H2,1H3,(H2,14,15,16,17)
InChIKeyPCPZBOKNBSFYEY-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.35
Rot. Bonds1

About methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (PubChem CID 22756544) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
PubChem CID22756544
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Namemethyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C11H11Cl2N3O2/c1-18-11(17)16-10-14-5-9(15-10)7-3-2-6(12)4-8(7)13/h2-4,9H,5H2,1H3,(H2,14,15,16,17)
InChIKeyPCPZBOKNBSFYEY-UHFFFAOYSA-N
XLogP2.35
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 22756557
2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine
CID 57479512
methyl N-[6-(2,4-diiodophenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate
CID 20546255
1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride
CID 70620008
methyl (2R,3R)-2-(2,4-dichlorophenyl)pyrrolidine-3-carboxylate
CID 51616375
dimethyl 4-(2,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 982608
methyl N-(5-chloro-2-fluorophenyl)carbamate
CID 110778567
methyl N-(3-chlorophenyl)carbamate
CID 16529
methyl 3-(2,4-dichlorophenyl)-2-hydroxycyclohexene-1-carboxylate
CID 69310809
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide
CID 121382514
methyl 6-(2,4-dichlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2966171

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (CID 22756544) is methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is COC(=O)NC1=NCC(c2ccc(Cl)cc2Cl)N1.
What is the InChIKey of methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The InChIKey is PCPZBOKNBSFYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c1-18-11(17)16-10-14-5-9(15-10)7-3-2-6(12)4-8(7)13/h2-4,9H,5H2,1H3,(H2,14,15,16,17).
What are the key properties of methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate has a molecular weight of 288.13 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is sourced from PubChem (CID 22756544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).