2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide

C19H21Cl2N3O2 — CID 176560113

IUPAC2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide
SMILESCc1cccc(CC(Oc2c(Cl)cccc2Cl)C2=NCCN2)c1.NC=O
InChIInChI=1S/C18H18Cl2N2O.CH3NO/c1-12-4-2-5-13(10-12)11-16(18-21-8-9-22-18)23-17-14(19)6-3-7-15(17)20;2-1-3/h2-7,10,16H,8-9,11H2,1H3,(H,21,22);1H,(H2,2,3)
InChIKeyFCAFJFOZGGXAJK-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.40
Rot. Bonds5

About 2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide

2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide (PubChem CID 176560113) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide.

Molecular Properties

Compound Name2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide
PubChem CID176560113
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide
SMILESCc1cccc(CC(Oc2c(Cl)cccc2Cl)C2=NCCN2)c1.NC=O
InChIInChI=1S/C18H18Cl2N2O.CH3NO/c1-12-4-2-5-13(10-12)11-16(18-21-8-9-22-18)23-17-14(19)6-3-7-15(17)20;2-1-3/h2-7,10,16H,8-9,11H2,1H3,(H,21,22);1H,(H2,2,3)
InChIKeyFCAFJFOZGGXAJK-UHFFFAOYSA-N
XLogP3.40
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 170631476
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1-(2,3-dichlorophenyl)-2-(3-methylphenyl)ethanol
CID 62792001
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CID 112607698
7-[1-bromo-2-(3-methylphenyl)ethyl]-6-chloro-2,3-dihydro-1,4-benzodioxine
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1-(3-methoxypyrazin-2-yl)-2-(3-methylphenyl)ethanol
CID 113421532
(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid
CID 100525071
2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 14878238

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide?
The IUPAC name of 2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide (CID 176560113) is 2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide.
What is the SMILES notation for 2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide?
The canonical SMILES for 2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide is Cc1cccc(CC(Oc2c(Cl)cccc2Cl)C2=NCCN2)c1.NC=O.
What is the InChIKey of 2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide?
The InChIKey is FCAFJFOZGGXAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O.CH3NO/c1-12-4-2-5-13(10-12)11-16(18-21-8-9-22-18)23-17-14(19)6-3-7-15(17)20;2-1-3/h2-7,10,16H,8-9,11H2,1H3,(H,21,22);1H,(H2,2,3).
What are the key properties of 2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide?
2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide has a molecular weight of 394.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide is sourced from PubChem (CID 176560113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).