propan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

C13H16ClN3O2 — CID 22756554

IUPACpropan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCC(C)OC(=O)NC1=NCC(c2cccc(Cl)c2)N1
InChIInChI=1S/C13H16ClN3O2/c1-8(2)19-13(18)17-12-15-7-11(16-12)9-4-3-5-10(14)6-9/h3-6,8,11H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyJKUWKTLNUVUHIJ-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.47
Rot. Bonds2

About propan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

propan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (PubChem CID 22756554) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is propan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
PubChem CID22756554
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Namepropan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCC(C)OC(=O)NC1=NCC(c2cccc(Cl)c2)N1
InChIInChI=1S/C13H16ClN3O2/c1-8(2)19-13(18)17-12-15-7-11(16-12)9-4-3-5-10(14)6-9/h3-6,8,11H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyJKUWKTLNUVUHIJ-UHFFFAOYSA-N
XLogP2.47
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (CID 22756554) is propan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is CC(C)OC(=O)NC1=NCC(c2cccc(Cl)c2)N1.
What is the InChIKey of propan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The InChIKey is JKUWKTLNUVUHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-8(2)19-13(18)17-12-15-7-11(16-12)9-4-3-5-10(14)6-9/h3-6,8,11H,7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of propan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
propan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate has a molecular weight of 281.74 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is sourced from PubChem (CID 22756554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).