N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide

C29H25F3N4O2 — CID 42829739

IUPACN-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C29H25F3N4O2/c1-19-7-9-21(10-8-19)27(38)35(23-15-16-23)18-26(37)34-28-33-25(20-5-3-2-4-6-20)17-36(28)24-13-11-22(12-14-24)29(30,31)32/h2-14,17,23H,15-16,18H2,1H3,(H,33,34,37)
InChIKeyGDENUZWABWTYCF-UHFFFAOYSA-N
MW518.54 g/mol
LogP6.11
Rot. Bonds7

About N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide

N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide (PubChem CID 42829739) has the molecular formula C29H25F3N4O2 and a molecular weight of 518.54 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide
PubChem CID42829739
Molecular FormulaC29H25F3N4O2
Molecular Weight518.54 g/mol
Exact Mass518.19
IUPAC NameN-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C29H25F3N4O2/c1-19-7-9-21(10-8-19)27(38)35(23-15-16-23)18-26(37)34-28-33-25(20-5-3-2-4-6-20)17-36(28)24-13-11-22(12-14-24)29(30,31)32/h2-14,17,23H,15-16,18H2,1H3,(H,33,34,37)
InChIKeyGDENUZWABWTYCF-UHFFFAOYSA-N
XLogP6.11
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.54
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylthiophene-2-carboxamide
CID 46145542
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide
CID 42827317
N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide
CID 46146230
4-chloro-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide
CID 42829750
2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide
CID 42826543
N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide
CID 70312590
4-methoxy-N-[2-[[1-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46144508
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42828259
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93151716
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 46145158
N-cyclopropyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 42828405
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 46145149

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide (CID 42829739) is N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide is Cc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C(F)(F)F)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide?
The InChIKey is GDENUZWABWTYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N4O2/c1-19-7-9-21(10-8-19)27(38)35(23-15-16-23)18-26(37)34-28-33-25(20-5-3-2-4-6-20)17-36(28)24-13-11-22(12-14-24)29(30,31)32/h2-14,17,23H,15-16,18H2,1H3,(H,33,34,37).
What are the key properties of N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide?
N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide has a molecular weight of 518.54 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 42829739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).