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

C11H12ClN3O2 — CID 22756530

IUPACmethyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C11H12ClN3O2/c1-17-11(16)15-10-13-6-9(14-10)7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3,(H2,13,14,15,16)
InChIKeyKPLTVMAZMSYGGH-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.70
Rot. Bonds1

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

methyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (PubChem CID 22756530) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is methyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
PubChem CID22756530
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Namemethyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C11H12ClN3O2/c1-17-11(16)15-10-13-6-9(14-10)7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3,(H2,13,14,15,16)
InChIKeyKPLTVMAZMSYGGH-UHFFFAOYSA-N
XLogP1.70
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

RS-51324
CID 173875
2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate
CID 22756555
methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 22756623
methyl N-[5-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 22756648
Methyl [5-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 23274544
methyl N-[5-(2-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 23340181
methyl N-[5-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 23340190
methyl N-[4-(2-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate
CID 44371687
ethyl N-[4-(2-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate
CID 44371688
methyl N-(1-ethyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamate
CID 44371871
methyl N-[4-(4-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate
CID 44371872
Methyl [4-(3-chlorophenyl)-1-methyl-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 44371938

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (CID 22756530) is methyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is COC(=O)NC1=NCC(c2ccc(Cl)cc2)N1.
What is the InChIKey of methyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The InChIKey is KPLTVMAZMSYGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-17-11(16)15-10-13-6-9(14-10)7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of methyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
methyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate has a molecular weight of 253.69 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is sourced from PubChem (CID 22756530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).