N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide

C31H34F3N5O2 — CID 177180645

IUPACN-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide
SMILESCc1cnc2nc(-c3ccc(C)c(NC(=O)c4ccc(CNC(=O)C(C)(C)CC(C)C)cc4C(F)(F)F)c3)cn2c1
InChIInChI=1S/C31H34F3N5O2/c1-18(2)13-30(5,6)28(41)35-15-21-8-10-23(24(11-21)31(32,33)34)27(40)37-25-12-22(9-7-20(25)4)26-17-39-16-19(3)14-36-29(39)38-26/h7-12,14,16-18H,13,15H2,1-6H3,(H,35,41)(H,37,40)
InChIKeyBUUUGVBBZGVVEF-UHFFFAOYSA-N
MW565.64 g/mol
LogP6.97
Rot. Bonds8

About N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide

N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide (PubChem CID 177180645) has the molecular formula C31H34F3N5O2 and a molecular weight of 565.64 g/mol. Its IUPAC name is N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide
PubChem CID177180645
Molecular FormulaC31H34F3N5O2
Molecular Weight565.64 g/mol
Exact Mass565.27
IUPAC NameN-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide
SMILESCc1cnc2nc(-c3ccc(C)c(NC(=O)c4ccc(CNC(=O)C(C)(C)CC(C)C)cc4C(F)(F)F)c3)cn2c1
InChIInChI=1S/C31H34F3N5O2/c1-18(2)13-30(5,6)28(41)35-15-21-8-10-23(24(11-21)31(32,33)34)27(40)37-25-12-22(9-7-20(25)4)26-17-39-16-19(3)14-36-29(39)38-26/h7-12,14,16-18H,13,15H2,1-6H3,(H,35,41)(H,37,40)
InChIKeyBUUUGVBBZGVVEF-UHFFFAOYSA-N
XLogP6.97
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.64
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 177180623
N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide
CID 155091253
4-[[[(2E)-3-[2-(2-aminoethoxy)ethoxy]-2-hydrazinylidenepropylidene]amino]methyl]-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 177180595
N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide
CID 155091243
ethane;N-[2-methyl-5-(6-methyl-1,8a-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-[(2,2,4,4-tetramethylpentanoylamino)methyl]-2-(trifluoromethyl)benzamide
CID 177180667
2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide
CID 155091264
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
2-(3,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyrimidine
CID 177180602
N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide
CID 142595749
5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 27536916
N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]naphthalene-1-carboxamide
CID 121089943
5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(2,6-dimethyl-4-pyridinyl)indazol-4-yl]-2-(trifluoromethyl)benzamide
CID 168968151

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide?
The IUPAC name of N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide (CID 177180645) is N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide.
What is the SMILES notation for N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide?
The canonical SMILES for N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide is Cc1cnc2nc(-c3ccc(C)c(NC(=O)c4ccc(CNC(=O)C(C)(C)CC(C)C)cc4C(F)(F)F)c3)cn2c1.
What is the InChIKey of N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide?
The InChIKey is BUUUGVBBZGVVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N5O2/c1-18(2)13-30(5,6)28(41)35-15-21-8-10-23(24(11-21)31(32,33)34)27(40)37-25-12-22(9-7-20(25)4)26-17-39-16-19(3)14-36-29(39)38-26/h7-12,14,16-18H,13,15H2,1-6H3,(H,35,41)(H,37,40).
What are the key properties of N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide?
N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide has a molecular weight of 565.64 g/mol, XLogP of 6.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide is sourced from PubChem (CID 177180645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).