2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid

C18H16BrN3O2 — CID 154015559

IUPAC2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1ncc(-c2cc(Br)c3ccccc3c2)[nH]1
InChIInChI=1S/C18H16BrN3O2/c19-14-9-12(8-11-4-1-2-5-13(11)14)15-10-20-17(21-15)16-6-3-7-22(16)18(23)24/h1-2,4-5,8-10,16H,3,6-7H2,(H,20,21)(H,23,24)
InChIKeyWBQWHYCHSOHQIU-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.81
Rot. Bonds2

About 2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid

2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid (PubChem CID 154015559) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
PubChem CID154015559
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1ncc(-c2cc(Br)c3ccccc3c2)[nH]1
InChIInChI=1S/C18H16BrN3O2/c19-14-9-12(8-11-4-1-2-5-13(11)14)15-10-20-17(21-15)16-6-3-7-22(16)18(23)24/h1-2,4-5,8-10,16H,3,6-7H2,(H,20,21)(H,23,24)
InChIKeyWBQWHYCHSOHQIU-UHFFFAOYSA-N
XLogP4.81
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 67414908
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129096469
2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
CID 129096546
(2S)-2-[5-(4-cyanophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 90259688
(2S)-2-[5-[3-[3-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 68608639
(2R)-2-amino-1-[2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 71101886
tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 59610569
(2S)-2-[5-[4-[4-[2-[(2S)-1-carboxypyrrolidin-2-yl]-1H-imidazol-5-yl]-2-(2-methyl-4-phenylbutan-2-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 90122309
tert-butyl 2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 66780708
(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 66848089
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[6-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]anthracen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 89025468
tert-butyl 2-[5-(7-bromoquinolin-3-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67422737

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid (CID 154015559) is 2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1c1ncc(-c2cc(Br)c3ccccc3c2)[nH]1.
What is the InChIKey of 2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is WBQWHYCHSOHQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c19-14-9-12(8-11-4-1-2-5-13(11)14)15-10-20-17(21-15)16-6-3-7-22(16)18(23)24/h1-2,4-5,8-10,16H,3,6-7H2,(H,20,21)(H,23,24).
What are the key properties of 2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid?
2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 386.25 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154015559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).