N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine

C20H23F3N4O2S — CID 141097737

IUPACN,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine
SMILESCC1=CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CN1Cc1ccncc1CN(C)C
InChIInChI=1S/C20H23F3N4O2S/c1-15-11-27(18-4-6-19(7-5-18)30(28,29)20(21,22)23)14-26(15)13-16-8-9-24-10-17(16)12-25(2)3/h4-11H,12-14H2,1-3H3
InChIKeyOYCMAVMQMIFBLP-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.58
Rot. Bonds6

About N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine

N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine (PubChem CID 141097737) has the molecular formula C20H23F3N4O2S and a molecular weight of 440.49 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine
PubChem CID141097737
Molecular FormulaC20H23F3N4O2S
Molecular Weight440.49 g/mol
Exact Mass440.15
IUPAC NameN,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine
SMILESCC1=CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CN1Cc1ccncc1CN(C)C
InChIInChI=1S/C20H23F3N4O2S/c1-15-11-27(18-4-6-19(7-5-18)30(28,29)20(21,22)23)14-26(15)13-16-8-9-24-10-17(16)12-25(2)3/h4-11H,12-14H2,1-3H3
InChIKeyOYCMAVMQMIFBLP-UHFFFAOYSA-N
XLogP3.58
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine (CID 141097737) is N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine is CC1=CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CN1Cc1ccncc1CN(C)C.
What is the InChIKey of N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine?
The InChIKey is OYCMAVMQMIFBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2S/c1-15-11-27(18-4-6-19(7-5-18)30(28,29)20(21,22)23)14-26(15)13-16-8-9-24-10-17(16)12-25(2)3/h4-11H,12-14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine?
N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine has a molecular weight of 440.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 141097737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).