2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide

C28H35F2N5O2 — CID 11497153

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNC(C)c2ccccc2)cn1
InChIInChI=1S/C28H35F2N5O2/c1-5-9-24(33-26(36)14-20-12-22(29)15-23(30)13-20)27(37)34-25-16-35(18-32-25)28(3,4)17-31-19(2)21-10-7-6-8-11-21/h6-8,10-13,15-16,18-19,24,31H,5,9,14,17H2,1-4H3,(H,33,36)(H,34,37)
InChIKeyLLTYUEYVTVWHLQ-UHFFFAOYSA-N
MW511.62 g/mol
LogP4.71
Rot. Bonds12

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide (PubChem CID 11497153) has the molecular formula C28H35F2N5O2 and a molecular weight of 511.62 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide
PubChem CID11497153
Molecular FormulaC28H35F2N5O2
Molecular Weight511.62 g/mol
Exact Mass511.28
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNC(C)c2ccccc2)cn1
InChIInChI=1S/C28H35F2N5O2/c1-5-9-24(33-26(36)14-20-12-22(29)15-23(30)13-20)27(37)34-25-16-35(18-32-25)28(3,4)17-31-19(2)21-10-7-6-8-11-21/h6-8,10-13,15-16,18-19,24,31H,5,9,14,17H2,1-4H3,(H,33,36)(H,34,37)
InChIKeyLLTYUEYVTVWHLQ-UHFFFAOYSA-N
XLogP4.71
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide (CID 11497153) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNC(C)c2ccccc2)cn1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide?
The InChIKey is LLTYUEYVTVWHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F2N5O2/c1-5-9-24(33-26(36)14-20-12-22(29)15-23(30)13-20)27(37)34-25-16-35(18-32-25)28(3,4)17-31-19(2)21-10-7-6-8-11-21/h6-8,10-13,15-16,18-19,24,31H,5,9,14,17H2,1-4H3,(H,33,36)(H,34,37).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide has a molecular weight of 511.62 g/mol, XLogP of 4.71, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide is sourced from PubChem (CID 11497153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).