(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide

C25H37F2N5O2 — CID 53327840

IUPAC(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
SMILESCCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1
InChIInChI=1S/C25H37F2N5O2/c1-7-8-20(30-22(33)11-17-9-18(26)12-19(27)10-17)23(34)31-21-13-32(16-29-21)25(5,6)15-28-14-24(2,3)4/h9-10,12-13,16,20,28H,7-8,11,14-15H2,1-6H3,(H,30,33)(H,31,34)/t20-/m0/s1
InChIKeyKLJYBGHIYLAIJK-FQEVSTJZSA-N
MW477.60 g/mol
LogP4.00
Rot. Bonds11

About (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide (PubChem CID 53327840) has the molecular formula C25H37F2N5O2 and a molecular weight of 477.60 g/mol. Its IUPAC name is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
PubChem CID53327840
Molecular FormulaC25H37F2N5O2
Molecular Weight477.60 g/mol
Exact Mass477.29
IUPAC Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
SMILESCCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1
InChIInChI=1S/C25H37F2N5O2/c1-7-8-20(30-22(33)11-17-9-18(26)12-19(27)10-17)23(34)31-21-13-32(16-29-21)25(5,6)15-28-14-24(2,3)4/h9-10,12-13,16,20,28H,7-8,11,14-15H2,1-6H3,(H,30,33)(H,31,34)/t20-/m0/s1
InChIKeyKLJYBGHIYLAIJK-FQEVSTJZSA-N
XLogP4.00
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.60
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-[(4-hydroxycyclohexyl)amino]-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
CID 54585770
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide
CID 11497153
2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
CID 138678638
3-[4-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]imidazol-1-yl]butanoic acid
CID 142780612
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide
CID 11502949
(2S)-2-[[(2S)-6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide
CID 166034056
2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide
CID 174211810
2-[[(2S)-6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide
CID 174211808
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide
CID 86598115
(2S)-N-[1-[2-[benzyl(methyl)amino]ethyl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91613314
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-oxoprop-1-enyl)-2-pyridinyl]pentanamide
CID 90764008
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide
CID 86598098

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide?
The IUPAC name of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide (CID 53327840) is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide.
What is the SMILES notation for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide?
The canonical SMILES for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide is CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1.
What is the InChIKey of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide?
The InChIKey is KLJYBGHIYLAIJK-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H37F2N5O2/c1-7-8-20(30-22(33)11-17-9-18(26)12-19(27)10-17)23(34)31-21-13-32(16-29-21)25(5,6)15-28-14-24(2,3)4/h9-10,12-13,16,20,28H,7-8,11,14-15H2,1-6H3,(H,30,33)(H,31,34)/t20-/m0/s1.
What are the key properties of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide?
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide has a molecular weight of 477.60 g/mol, XLogP of 4.00, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide is sourced from PubChem (CID 53327840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).