(2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide

C16H18BrN3O2 — CID 51492899

IUPAC(2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide
SMILESCn1c(-c2ccc(Br)cc2)cnc1NC(=O)[C@@]1(C)CCCO1
InChIInChI=1S/C16H18BrN3O2/c1-16(8-3-9-22-16)14(21)19-15-18-10-13(20(15)2)11-4-6-12(17)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,21)/t16-/m1/s1
InChIKeyVOFGUEUIZMVOKP-MRXNPFEDSA-N
MW364.24 g/mol
LogP3.36
Rot. Bonds3

About (2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide

(2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide (PubChem CID 51492899) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is (2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide
PubChem CID51492899
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name(2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide
SMILESCn1c(-c2ccc(Br)cc2)cnc1NC(=O)[C@@]1(C)CCCO1
InChIInChI=1S/C16H18BrN3O2/c1-16(8-3-9-22-16)14(21)19-15-18-10-13(20(15)2)11-4-6-12(17)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,21)/t16-/m1/s1
InChIKeyVOFGUEUIZMVOKP-MRXNPFEDSA-N
XLogP3.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2R)-3-amino-2-fluoropropyl]-N-[(1R)-1-[1-benzyl-4-(3-bromophenyl)imidazol-2-yl]-2,2-dimethylpropyl]oxolane-2-carboxamide
CID 57805949
N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide
CID 16676193
[(3S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl] carbamate
CID 67199775
[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl] carbamate
CID 67199777
Tert-butyl 2-amino-5-(4-bromophenyl)imidazole-1-carboxylate
CID 68038881
tert-butyl 8-[5-(4-bromophenyl)-1H-imidazol-2-yl]-1-oxa-7-azoniaspiro[4.4]non-7-ene-7-carboxylate
CID 123901870
(3R)-3-[1-benzyl-4-(3-bromophenyl)imidazol-2-yl]-2-methoxy-4,4-dimethylpentanamide
CID 140497239
5-(4-bromophenyl)-1-[(2S,4S)-4-methoxypyrrolidin-2-yl]imidazole
CID 141379157
[1-[2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl] carbamate
CID 150418876
1-[2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-methoxypyrrolidin-1-yl]-3-methylbutan-1-one
CID 174786454
N-[5-(4-bromophenyl)-1-methyl-1H-imidazol-2-yl]acetamide
CID 3894964
N-[5-(4-bromophenyl)-1-methyl-1H-imidazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide?
The IUPAC name of (2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide (CID 51492899) is (2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide is Cn1c(-c2ccc(Br)cc2)cnc1NC(=O)[C@@]1(C)CCCO1.
What is the InChIKey of (2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide?
The InChIKey is VOFGUEUIZMVOKP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-16(8-3-9-22-16)14(21)19-15-18-10-13(20(15)2)11-4-6-12(17)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,21)/t16-/m1/s1.
What are the key properties of (2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide?
(2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 51492899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).