[5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone

C19H17Cl2N3O — CID 13186916

IUPAC[5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone
SMILESCN(C)Cc1nccn1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C19H17Cl2N3O/c1-23(2)12-18-22-9-10-24(18)17-8-7-13(20)11-15(17)19(25)14-5-3-4-6-16(14)21/h3-11H,12H2,1-2H3
InChIKeyGSKODPHPAKZVPO-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.47
Rot. Bonds5

About [5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone

[5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone (PubChem CID 13186916) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is [5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone
PubChem CID13186916
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name[5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone
SMILESCN(C)Cc1nccn1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C19H17Cl2N3O/c1-23(2)12-18-22-9-10-24(18)17-8-7-13(20)11-15(17)19(25)14-5-3-4-6-16(14)21/h3-11H,12H2,1-2H3
InChIKeyGSKODPHPAKZVPO-UHFFFAOYSA-N
XLogP4.47
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone?
The IUPAC name of [5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone (CID 13186916) is [5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone?
The canonical SMILES for [5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone is CN(C)Cc1nccn1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of [5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone?
The InChIKey is GSKODPHPAKZVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-23(2)12-18-22-9-10-24(18)17-8-7-13(20)11-15(17)19(25)14-5-3-4-6-16(14)21/h3-11H,12H2,1-2H3.
What are the key properties of [5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone?
[5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone has a molecular weight of 374.27 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 13186916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).