(5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one

C15H12BrClN4O — CID 129395094

IUPAC(5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one
SMILESCN1C(=O)[C@](c2cccc(Br)c2)(c2ccnc(Cl)c2)N=C1N
InChIInChI=1S/C15H12BrClN4O/c1-21-13(22)15(20-14(21)18,9-3-2-4-11(16)7-9)10-5-6-19-12(17)8-10/h2-8H,1H3,(H2,18,20)/t15-/m0/s1
InChIKeyNGWDZNIGXWKGBC-HNNXBMFYSA-N
MW379.65 g/mol
LogP2.53
Rot. Bonds2

About (5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one

(5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one (PubChem CID 129395094) has the molecular formula C15H12BrClN4O and a molecular weight of 379.65 g/mol. Its IUPAC name is (5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one
PubChem CID129395094
Molecular FormulaC15H12BrClN4O
Molecular Weight379.65 g/mol
Exact Mass377.99
IUPAC Name(5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one
SMILESCN1C(=O)[C@](c2cccc(Br)c2)(c2ccnc(Cl)c2)N=C1N
InChIInChI=1S/C15H12BrClN4O/c1-21-13(22)15(20-14(21)18,9-3-2-4-11(16)7-9)10-5-6-19-12(17)8-10/h2-8H,1H3,(H2,18,20)/t15-/m0/s1
InChIKeyNGWDZNIGXWKGBC-HNNXBMFYSA-N
XLogP2.53
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.65
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one (CID 129395094) is (5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one is CN1C(=O)[C@](c2cccc(Br)c2)(c2ccnc(Cl)c2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one?
The InChIKey is NGWDZNIGXWKGBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H12BrClN4O/c1-21-13(22)15(20-14(21)18,9-3-2-4-11(16)7-9)10-5-6-19-12(17)8-10/h2-8H,1H3,(H2,18,20)/t15-/m0/s1.
What are the key properties of (5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one?
(5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one has a molecular weight of 379.65 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one is sourced from PubChem (CID 129395094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).