N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide

C21H23N3O — CID 10472023

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide
SMILESO=C(CCC(c1ccccc1)c1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C21H23N3O/c25-21(23-14-13-19-15-22-16-24-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,20H,11-14H2,(H,22,24)(H,23,25)
InChIKeyMRTDXSGEVJTPED-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.68
Rot. Bonds8

About N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide

N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide (PubChem CID 10472023) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide
PubChem CID10472023
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide
SMILESO=C(CCC(c1ccccc1)c1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C21H23N3O/c25-21(23-14-13-19-15-22-16-24-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,20H,11-14H2,(H,22,24)(H,23,25)
InChIKeyMRTDXSGEVJTPED-UHFFFAOYSA-N
XLogP3.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide (CID 10472023) is N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide is O=C(CCC(c1ccccc1)c1ccccc1)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide?
The InChIKey is MRTDXSGEVJTPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21(23-14-13-19-15-22-16-24-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,20H,11-14H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide has a molecular weight of 333.44 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide is sourced from PubChem (CID 10472023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).