methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate

C12H14ClN3O2 — CID 23274905

IUPACmethyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2cccc(Cl)c2)N1C
InChIInChI=1S/C12H14ClN3O2/c1-16-10(8-4-3-5-9(13)6-8)7-14-11(16)15-12(17)18-2/h3-6,10H,7H2,1-2H3,(H,14,15,17)
InChIKeyZSOKHPWRSHCIII-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.04
Rot. Bonds1

About methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate

methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate (PubChem CID 23274905) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate
PubChem CID23274905
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Namemethyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2cccc(Cl)c2)N1C
InChIInChI=1S/C12H14ClN3O2/c1-16-10(8-4-3-5-9(13)6-8)7-14-11(16)15-12(17)18-2/h3-6,10H,7H2,1-2H3,(H,14,15,17)
InChIKeyZSOKHPWRSHCIII-UHFFFAOYSA-N
XLogP2.04
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate (CID 23274905) is methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate is COC(=O)NC1=NCC(c2cccc(Cl)c2)N1C.
What is the InChIKey of methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate?
The InChIKey is ZSOKHPWRSHCIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-16-10(8-4-3-5-9(13)6-8)7-14-11(16)15-12(17)18-2/h3-6,10H,7H2,1-2H3,(H,14,15,17).
What are the key properties of methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate?
methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate has a molecular weight of 267.72 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate is sourced from PubChem (CID 23274905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).