2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide

C22H25N3O — CID 71789005

IUPAC2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide
SMILESCCC(C(=O)NCCCn1ccnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25N3O/c1-2-20(18-10-5-3-6-11-18)22(26)24-14-9-16-25-17-15-23-21(25)19-12-7-4-8-13-19/h3-8,10-13,15,17,20H,2,9,14,16H2,1H3,(H,24,26)
InChIKeyAUDLLYJYSFJEIZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.25
Rot. Bonds8

About 2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide

2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide (PubChem CID 71789005) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide
PubChem CID71789005
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide
SMILESCCC(C(=O)NCCCn1ccnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25N3O/c1-2-20(18-10-5-3-6-11-18)22(26)24-14-9-16-25-17-15-23-21(25)19-12-7-4-8-13-19/h3-8,10-13,15,17,20H,2,9,14,16H2,1H3,(H,24,26)
InChIKeyAUDLLYJYSFJEIZ-UHFFFAOYSA-N
XLogP4.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea
CID 71789054
4-(2-phenylimidazol-1-yl)butanoic acid
CID 15307825
methyl 4-(2-phenylimidazol-1-yl)butanoate
CID 11149223
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenylbutanamide
CID 90515546
N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine
CID 62566993
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576
N-[1-(4-chlorophenyl)ethyl]-3-(2-phenylimidazol-1-yl)propan-1-amine;hydrate;dihydrochloride
CID 19429407
(2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
CID 100689903
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
N-(4-aminopentyl)-2-phenylbutanamide
CID 106122519

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide?
The IUPAC name of 2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide (CID 71789005) is 2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide.
What is the SMILES notation for 2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide?
The canonical SMILES for 2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide is CCC(C(=O)NCCCn1ccnc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide?
The InChIKey is AUDLLYJYSFJEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-20(18-10-5-3-6-11-18)22(26)24-14-9-16-25-17-15-23-21(25)19-12-7-4-8-13-19/h3-8,10-13,15,17,20H,2,9,14,16H2,1H3,(H,24,26).
What are the key properties of 2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide?
2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide has a molecular weight of 347.46 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide is sourced from PubChem (CID 71789005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).