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

C11H12BrN3O2 — CID 23274699

IUPACmethyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2ccccc2Br)N1
InChIInChI=1S/C11H12BrN3O2/c1-17-11(16)15-10-13-6-9(14-10)7-4-2-3-5-8(7)12/h2-5,9H,6H2,1H3,(H2,13,14,15,16)
InChIKeyWKFHCBPNWQSRAN-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.81
Rot. Bonds1

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

methyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (PubChem CID 23274699) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is methyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
PubChem CID23274699
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Namemethyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2ccccc2Br)N1
InChIInChI=1S/C11H12BrN3O2/c1-17-11(16)15-10-13-6-9(14-10)7-4-2-3-5-8(7)12/h2-5,9H,6H2,1H3,(H2,13,14,15,16)
InChIKeyWKFHCBPNWQSRAN-UHFFFAOYSA-N
XLogP1.81
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (CID 23274699) is methyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is COC(=O)NC1=NCC(c2ccccc2Br)N1.
What is the InChIKey of methyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The InChIKey is WKFHCBPNWQSRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-17-11(16)15-10-13-6-9(14-10)7-4-2-3-5-8(7)12/h2-5,9H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of methyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
methyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate has a molecular weight of 298.14 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is sourced from PubChem (CID 23274699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).