(1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid

C15H14BrN3O2 — CID 141299522

IUPAC(1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)N1C(c2ncc(-c3ccc(Br)cc3)[nH]2)C[C@H]2C[C@H]21
InChIInChI=1S/C15H14BrN3O2/c16-10-3-1-8(2-4-10)11-7-17-14(18-11)13-6-9-5-12(9)19(13)15(20)21/h1-4,7,9,12-13H,5-6H2,(H,17,18)(H,20,21)/t9-,12-,13?/m1/s1
InChIKeyFUHQGMUMLMNNAJ-PDFXSYEUSA-N
MW348.20 g/mol
LogP3.65
Rot. Bonds2

About (1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid

(1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid (PubChem CID 141299522) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is (1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
PubChem CID141299522
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name(1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)N1C(c2ncc(-c3ccc(Br)cc3)[nH]2)C[C@H]2C[C@H]21
InChIInChI=1S/C15H14BrN3O2/c16-10-3-1-8(2-4-10)11-7-17-14(18-11)13-6-9-5-12(9)19(13)15(20)21/h1-4,7,9,12-13H,5-6H2,(H,17,18)(H,20,21)/t9-,12-,13?/m1/s1
InChIKeyFUHQGMUMLMNNAJ-PDFXSYEUSA-N
XLogP3.65
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 70666415
3-[5-[4-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 66982222
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-tert-butylpyrrolidine-1-carboxylic acid
CID 67223811
tert-butyl 3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 66982136
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 67414908
[(2S)-1-[(1R,3S,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid
CID 66982176
[(1R)-2-[(3S,5R)-3-[5-[4-[4-[2-[(3S,5R)-2-[(2R)-2-(carboxyamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid
CID 69075909
(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,3S,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]quinoxalin-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 66982489
3-[6-(6-bromonaphthalen-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 66982019
methyl N-[1-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 70673549
methyl N-[(2S)-1-[(1R)-3-[5-[4-[4-[2-[(5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130410339
methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58498715

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The IUPAC name of (1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid (CID 141299522) is (1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid.
What is the SMILES notation for (1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The canonical SMILES for (1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid is O=C(O)N1C(c2ncc(-c3ccc(Br)cc3)[nH]2)C[C@H]2C[C@H]21.
What is the InChIKey of (1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The InChIKey is FUHQGMUMLMNNAJ-PDFXSYEUSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-10-3-1-8(2-4-10)11-7-17-14(18-11)13-6-9-5-12(9)19(13)15(20)21/h1-4,7,9,12-13H,5-6H2,(H,17,18)(H,20,21)/t9-,12-,13?/m1/s1.
What are the key properties of (1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid?
(1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid has a molecular weight of 348.20 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid is sourced from PubChem (CID 141299522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).