[4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone

C20H19BrFN3O2 — CID 21482299

IUPAC[4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone
SMILESCN(C)Cc1ncc(CO)n1-c1cc(Br)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C20H19BrFN3O2/c1-24(2)11-19-23-10-14(12-26)25(19)18-9-13(21)7-8-16(18)20(27)15-5-3-4-6-17(15)22/h3-10,26H,11-12H2,1-2H3
InChIKeyKIWBBPMCPGSFTQ-UHFFFAOYSA-N
MW432.29 g/mol
LogP3.56
Rot. Bonds6

About [4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone

[4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone (PubChem CID 21482299) has the molecular formula C20H19BrFN3O2 and a molecular weight of 432.29 g/mol. Its IUPAC name is [4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone
PubChem CID21482299
Molecular FormulaC20H19BrFN3O2
Molecular Weight432.29 g/mol
Exact Mass431.06
IUPAC Name[4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone
SMILESCN(C)Cc1ncc(CO)n1-c1cc(Br)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C20H19BrFN3O2/c1-24(2)11-19-23-10-14(12-26)25(19)18-9-13(21)7-8-16(18)20(27)15-5-3-4-6-17(15)22/h3-10,26H,11-12H2,1-2H3
InChIKeyKIWBBPMCPGSFTQ-UHFFFAOYSA-N
XLogP3.56
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone (CID 21482299) is [4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone is CN(C)Cc1ncc(CO)n1-c1cc(Br)ccc1C(=O)c1ccccc1F.
What is the InChIKey of [4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone?
The InChIKey is KIWBBPMCPGSFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3O2/c1-24(2)11-19-23-10-14(12-26)25(19)18-9-13(21)7-8-16(18)20(27)15-5-3-4-6-17(15)22/h3-10,26H,11-12H2,1-2H3.
What are the key properties of [4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone?
[4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone has a molecular weight of 432.29 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[2-[(dimethylamino)methyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 21482299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).