1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one

C14H15BrN4O — CID 10806692

IUPAC1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
SMILESCc1[nH]cnc1CN1CCN(c2cccc(Br)c2)C1=O
InChIInChI=1S/C14H15BrN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)
InChIKeyVXZKJSJYLOEUCU-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.92
Rot. Bonds3

About 1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one

1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one (PubChem CID 10806692) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
PubChem CID10806692
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
SMILESCc1[nH]cnc1CN1CCN(c2cccc(Br)c2)C1=O
InChIInChI=1S/C14H15BrN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)
InChIKeyVXZKJSJYLOEUCU-UHFFFAOYSA-N
XLogP2.92
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one
CID 10492280
1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10589625
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10563032
1-[(1,5-Dimethylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10612110
1-(2-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10613497
1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one
CID 10728865
1-(4-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10851096
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-nitrophenyl)imidazolidin-2-one
CID 10662023
1-[(1-Ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10565004
3-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 24948081
3-bromo-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24948263
3,4-dibromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 24948270

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one (CID 10806692) is 1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one is Cc1[nH]cnc1CN1CCN(c2cccc(Br)c2)C1=O.
What is the InChIKey of 1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
The InChIKey is VXZKJSJYLOEUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17).
What are the key properties of 1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one has a molecular weight of 335.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 10806692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).