methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate

C15H16BrN3O3 — CID 10690235

IUPACmethyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccc(Br)cc2)nc1N1CCOCC1
InChIInChI=1S/C15H16BrN3O3/c1-21-15(20)12-14(19-6-8-22-9-7-19)18-13(17-12)10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyCAHMYUYHEORANR-UHFFFAOYSA-N
MW366.22 g/mol
LogP2.46
Rot. Bonds3

About methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate

methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate (PubChem CID 10690235) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate
PubChem CID10690235
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Namemethyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccc(Br)cc2)nc1N1CCOCC1
InChIInChI=1S/C15H16BrN3O3/c1-21-15(20)12-14(19-6-8-22-9-7-19)18-13(17-12)10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyCAHMYUYHEORANR-UHFFFAOYSA-N
XLogP2.46
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate (CID 10690235) is methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate is COC(=O)c1[nH]c(-c2ccc(Br)cc2)nc1N1CCOCC1.
What is the InChIKey of methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate?
The InChIKey is CAHMYUYHEORANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-21-15(20)12-14(19-6-8-22-9-7-19)18-13(17-12)10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3,(H,17,18).
What are the key properties of methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate?
methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate has a molecular weight of 366.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 10690235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).