N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide

C27H36N4O — CID 10432968

IUPACN-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide
SMILESCCCCCCC(=O)NCCCCCNc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C27H36N4O/c1-2-3-4-12-19-24(32)28-20-13-7-14-21-29-27-30-25(22-15-8-5-9-16-22)26(31-27)23-17-10-6-11-18-23/h5-6,8-11,15-18H,2-4,7,12-14,19-21H2,1H3,(H,28,32)(H2,29,30,31)
InChIKeyUHZPGFGBMDPWHU-UHFFFAOYSA-N
MW432.61 g/mol
LogP6.41
Rot. Bonds14

About N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide

N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide (PubChem CID 10432968) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide.

Molecular Properties

Compound NameN-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide
PubChem CID10432968
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC NameN-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide
SMILESCCCCCCC(=O)NCCCCCNc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C27H36N4O/c1-2-3-4-12-19-24(32)28-20-13-7-14-21-29-27-30-25(22-15-8-5-9-16-22)26(31-27)23-17-10-6-11-18-23/h5-6,8-11,15-18H,2-4,7,12-14,19-21H2,1H3,(H,28,32)(H2,29,30,31)
InChIKeyUHZPGFGBMDPWHU-UHFFFAOYSA-N
XLogP6.41
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 56.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide
CID 5099566
N-(3-anilinopropyl)nonanamide
CID 56586452
2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide
CID 102396045
N-(4-phenylbutyl)hexanamide
CID 4985988
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-pentylicosanamide
CID 139961886
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide?
The IUPAC name of N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide (CID 10432968) is N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide.
What is the SMILES notation for N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide?
The canonical SMILES for N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide is CCCCCCC(=O)NCCCCCNc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide?
The InChIKey is UHZPGFGBMDPWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-2-3-4-12-19-24(32)28-20-13-7-14-21-29-27-30-25(22-15-8-5-9-16-22)26(31-27)23-17-10-6-11-18-23/h5-6,8-11,15-18H,2-4,7,12-14,19-21H2,1H3,(H,28,32)(H2,29,30,31).
What are the key properties of N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide?
N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide has a molecular weight of 432.61 g/mol, XLogP of 6.41, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide is sourced from PubChem (CID 10432968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).