N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide

C22H24F3N5O2 — CID 56527334

IUPACN-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide
SMILESCc1cc(C(=O)CN(C)Cc2nccn2CC(F)(F)F)c(C)n1NC(=O)c1ccccc1
InChIInChI=1S/C22H24F3N5O2/c1-15-11-18(16(2)30(15)27-21(32)17-7-5-4-6-8-17)19(31)12-28(3)13-20-26-9-10-29(20)14-22(23,24)25/h4-11H,12-14H2,1-3H3,(H,27,32)
InChIKeyJCITVXYASVDMHW-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.56
Rot. Bonds8

About N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide

N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide (PubChem CID 56527334) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide
PubChem CID56527334
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC NameN-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide
SMILESCc1cc(C(=O)CN(C)Cc2nccn2CC(F)(F)F)c(C)n1NC(=O)c1ccccc1
InChIInChI=1S/C22H24F3N5O2/c1-15-11-18(16(2)30(15)27-21(32)17-7-5-4-6-8-17)19(31)12-28(3)13-20-26-9-10-29(20)14-22(23,24)25/h4-11H,12-14H2,1-3H3,(H,27,32)
InChIKeyJCITVXYASVDMHW-UHFFFAOYSA-N
XLogP3.56
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide?
The IUPAC name of N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide (CID 56527334) is N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide.
What is the SMILES notation for N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide?
The canonical SMILES for N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide is Cc1cc(C(=O)CN(C)Cc2nccn2CC(F)(F)F)c(C)n1NC(=O)c1ccccc1.
What is the InChIKey of N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide?
The InChIKey is JCITVXYASVDMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-15-11-18(16(2)30(15)27-21(32)17-7-5-4-6-8-17)19(31)12-28(3)13-20-26-9-10-29(20)14-22(23,24)25/h4-11H,12-14H2,1-3H3,(H,27,32).
What are the key properties of N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide?
N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide has a molecular weight of 447.46 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide is sourced from PubChem (CID 56527334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).