2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate

C14H17Cl2N3O2 — CID 54425824

IUPAC2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate
SMILESCC(C)COC(=O)N1CCN=C1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O2/c1-9(2)8-21-14(20)19-6-5-17-13(19)18-12-4-3-10(15)7-11(12)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyWDZPMGZLPZKGRS-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.87
Rot. Bonds3

About 2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate

2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate (PubChem CID 54425824) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate
PubChem CID54425824
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate
SMILESCC(C)COC(=O)N1CCN=C1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O2/c1-9(2)8-21-14(20)19-6-5-17-13(19)18-12-4-3-10(15)7-11(12)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyWDZPMGZLPZKGRS-UHFFFAOYSA-N
XLogP3.87
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate (CID 54425824) is 2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate is CC(C)COC(=O)N1CCN=C1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is WDZPMGZLPZKGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-9(2)8-21-14(20)19-6-5-17-13(19)18-12-4-3-10(15)7-11(12)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate?
2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 330.22 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 54425824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).