2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride

C13H18BrCl2N3 — CID 155671299

IUPAC2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride
SMILESBrc1ccc(C2([C@@H]3CCCN3)NC=CN2)cc1.Cl.Cl
InChIInChI=1S/C13H16BrN3.2ClH/c14-11-5-3-10(4-6-11)13(16-8-9-17-13)12-2-1-7-15-12;;/h3-6,8-9,12,15-17H,1-2,7H2;2*1H/t12-;;/m0../s1
InChIKeyLPOPEQTXTIEUMZ-LTCKWSDVSA-N
MW367.12 g/mol
LogP2.86
Rot. Bonds2

About 2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride

2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride (PubChem CID 155671299) has the molecular formula C13H18BrCl2N3 and a molecular weight of 367.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride
PubChem CID155671299
Molecular FormulaC13H18BrCl2N3
Molecular Weight367.12 g/mol
Exact Mass365.01
IUPAC Name2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride
SMILESBrc1ccc(C2([C@@H]3CCCN3)NC=CN2)cc1.Cl.Cl
InChIInChI=1S/C13H16BrN3.2ClH/c14-11-5-3-10(4-6-11)13(16-8-9-17-13)12-2-1-7-15-12;;/h3-6,8-9,12,15-17H,1-2,7H2;2*1H/t12-;;/m0../s1
InChIKeyLPOPEQTXTIEUMZ-LTCKWSDVSA-N
XLogP2.86
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.12
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride?
The IUPAC name of 2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride (CID 155671299) is 2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride is Brc1ccc(C2([C@@H]3CCCN3)NC=CN2)cc1.Cl.Cl.
What is the InChIKey of 2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride?
The InChIKey is LPOPEQTXTIEUMZ-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H16BrN3.2ClH/c14-11-5-3-10(4-6-11)13(16-8-9-17-13)12-2-1-7-15-12;;/h3-6,8-9,12,15-17H,1-2,7H2;2*1H/t12-;;/m0../s1.
What are the key properties of 2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride?
2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride has a molecular weight of 367.12 g/mol, XLogP of 2.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride is sourced from PubChem (CID 155671299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).