4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C15H20BrClN4O — CID 120962296

IUPAC4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C15H19BrN4O.ClH/c16-12-3-1-2-10(4-12)13-7-19-15(20-13)9-18-6-11-5-17-8-14(11)21;/h1-4,7,11,14,17-18,21H,5-6,8-9H2,(H,19,20);1H
InChIKeyYIUCCEJAOIGHPV-UHFFFAOYSA-N
MW387.71 g/mol
LogP1.93
Rot. Bonds5

About 4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962296) has the molecular formula C15H20BrClN4O and a molecular weight of 387.71 g/mol. Its IUPAC name is 4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962296
Molecular FormulaC15H20BrClN4O
Molecular Weight387.71 g/mol
Exact Mass386.05
IUPAC Name4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C15H19BrN4O.ClH/c16-12-3-1-2-10(4-12)13-7-19-15(20-13)9-18-6-11-5-17-8-14(11)21;/h1-4,7,11,14,17-18,21H,5-6,8-9H2,(H,19,20);1H
InChIKeyYIUCCEJAOIGHPV-UHFFFAOYSA-N
XLogP1.93
TPSA72.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.71
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962296) is 4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1CNCC1CNCc1ncc(-c2cccc(Br)c2)[nH]1.
What is the InChIKey of 4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is YIUCCEJAOIGHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O.ClH/c16-12-3-1-2-10(4-12)13-7-19-15(20-13)9-18-6-11-5-17-8-14(11)21;/h1-4,7,11,14,17-18,21H,5-6,8-9H2,(H,19,20);1H.
What are the key properties of 4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 387.71 g/mol, XLogP of 1.93, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).