2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate

C38H51FN8O4 — CID 134421319

IUPAC2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCN(C)C(C)(C)C(=O)NCc1ncc(-c2ccc(-c3ccc(-c4cnc(C(NC(=O)C(C)(C)N(C)C(=O)OCCF)C(C)(C)C)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C38H51FN8O4/c1-36(2,3)31(45-34(49)38(6,7)47(10)35(50)51-20-19-39)32-41-22-29(44-32)27-17-13-25(14-18-27)24-11-15-26(16-12-24)28-21-40-30(43-28)23-42-33(48)37(4,5)46(8)9/h11-18,21-22,31H,19-20,23H2,1-10H3,(H,40,43)(H,41,44)(H,42,48)(H,45,49)
InChIKeyUOFRUAABHLHVQN-UHFFFAOYSA-N
MW702.88 g/mol
LogP6.11
Rot. Bonds13

About 2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate

2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 134421319) has the molecular formula C38H51FN8O4 and a molecular weight of 702.88 g/mol. Its IUPAC name is 2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
PubChem CID134421319
Molecular FormulaC38H51FN8O4
Molecular Weight702.88 g/mol
Exact Mass702.40
IUPAC Name2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCN(C)C(C)(C)C(=O)NCc1ncc(-c2ccc(-c3ccc(-c4cnc(C(NC(=O)C(C)(C)N(C)C(=O)OCCF)C(C)(C)C)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C38H51FN8O4/c1-36(2,3)31(45-34(49)38(6,7)47(10)35(50)51-20-19-39)32-41-22-29(44-32)27-17-13-25(14-18-27)24-11-15-26(16-12-24)28-21-40-30(43-28)23-42-33(48)37(4,5)46(8)9/h11-18,21-22,31H,19-20,23H2,1-10H3,(H,40,43)(H,41,44)(H,42,48)(H,45,49)
InChIKeyUOFRUAABHLHVQN-UHFFFAOYSA-N
XLogP6.11
TPSA148.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.88
LogP ≤ 56.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate?
The IUPAC name of 2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate (CID 134421319) is 2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for 2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate?
The canonical SMILES for 2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate is CN(C)C(C)(C)C(=O)NCc1ncc(-c2ccc(-c3ccc(-c4cnc(C(NC(=O)C(C)(C)N(C)C(=O)OCCF)C(C)(C)C)[nH]4)cc3)cc2)[nH]1.
What is the InChIKey of 2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate?
The InChIKey is UOFRUAABHLHVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51FN8O4/c1-36(2,3)31(45-34(49)38(6,7)47(10)35(50)51-20-19-39)32-41-22-29(44-32)27-17-13-25(14-18-27)24-11-15-26(16-12-24)28-21-40-30(43-28)23-42-33(48)37(4,5)46(8)9/h11-18,21-22,31H,19-20,23H2,1-10H3,(H,40,43)(H,41,44)(H,42,48)(H,45,49).
What are the key properties of 2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate?
2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 702.88 g/mol, XLogP of 6.11, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[1-[[1-[5-[4-[4-[2-[[[2-(dimethylamino)-2-methylpropanoyl]amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 134421319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).