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

C27H33F2N5O2 — CID 11526151

IUPACN-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNCc2ccccc2)cn1
InChIInChI=1S/C27H33F2N5O2/c1-4-8-23(32-25(35)13-20-11-21(28)14-22(29)12-20)26(36)33-24-16-34(18-31-24)27(2,3)17-30-15-19-9-6-5-7-10-19/h5-7,9-12,14,16,18,23,30H,4,8,13,15,17H2,1-3H3,(H,32,35)(H,33,36)
InChIKeyKIUCLWXKKIMRFD-UHFFFAOYSA-N
MW497.59 g/mol
LogP4.15
Rot. Bonds12

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

N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (PubChem CID 11526151) has the molecular formula C27H33F2N5O2 and a molecular weight of 497.59 g/mol. Its IUPAC name is N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
PubChem CID11526151
Molecular FormulaC27H33F2N5O2
Molecular Weight497.59 g/mol
Exact Mass497.26
IUPAC NameN-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNCc2ccccc2)cn1
InChIInChI=1S/C27H33F2N5O2/c1-4-8-23(32-25(35)13-20-11-21(28)14-22(29)12-20)26(36)33-24-16-34(18-31-24)27(2,3)17-30-15-19-9-6-5-7-10-19/h5-7,9-12,14,16,18,23,30H,4,8,13,15,17H2,1-3H3,(H,32,35)(H,33,36)
InChIKeyKIUCLWXKKIMRFD-UHFFFAOYSA-N
XLogP4.15
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The IUPAC name of N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (CID 11526151) is N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNCc2ccccc2)cn1.
What is the InChIKey of N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The InChIKey is KIUCLWXKKIMRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N5O2/c1-4-8-23(32-25(35)13-20-11-21(28)14-22(29)12-20)26(36)33-24-16-34(18-31-24)27(2,3)17-30-15-19-9-6-5-7-10-19/h5-7,9-12,14,16,18,23,30H,4,8,13,15,17H2,1-3H3,(H,32,35)(H,33,36).
What are the key properties of N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide has a molecular weight of 497.59 g/mol, XLogP of 4.15, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 11526151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).