[5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone

C22H25FN4O — CID 13060576

IUPAC[5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone
SMILESCc1ncc(CN(C)C)n1-c1ccc(N(C)C)cc1C(=O)c1ccccc1F
InChIInChI=1S/C22H25FN4O/c1-15-24-13-17(14-25(2)3)27(15)21-11-10-16(26(4)5)12-19(21)22(28)18-8-6-7-9-20(18)23/h6-13H,14H2,1-5H3
InChIKeyNFYOMNGDTAGRCI-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.68
Rot. Bonds6

About [5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone

[5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone (PubChem CID 13060576) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is [5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone
PubChem CID13060576
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name[5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone
SMILESCc1ncc(CN(C)C)n1-c1ccc(N(C)C)cc1C(=O)c1ccccc1F
InChIInChI=1S/C22H25FN4O/c1-15-24-13-17(14-25(2)3)27(15)21-11-10-16(26(4)5)12-19(21)22(28)18-8-6-7-9-20(18)23/h6-13H,14H2,1-5H3
InChIKeyNFYOMNGDTAGRCI-UHFFFAOYSA-N
XLogP3.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone?
The IUPAC name of [5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone (CID 13060576) is [5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone?
The canonical SMILES for [5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone is Cc1ncc(CN(C)C)n1-c1ccc(N(C)C)cc1C(=O)c1ccccc1F.
What is the InChIKey of [5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone?
The InChIKey is NFYOMNGDTAGRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-15-24-13-17(14-25(2)3)27(15)21-11-10-16(26(4)5)12-19(21)22(28)18-8-6-7-9-20(18)23/h6-13H,14H2,1-5H3.
What are the key properties of [5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone?
[5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone has a molecular weight of 380.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)-2-[5-[(dimethylamino)methyl]-2-methylimidazol-1-yl]phenyl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 13060576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).