N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide

C20H23N3O — CID 155513647

IUPACN-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide
SMILESO=C(NCCCC[C@H]1CN=C(c2ccccc2)N1)c1ccccc1
InChIInChI=1S/C20H23N3O/c24-20(17-11-5-2-6-12-17)21-14-8-7-13-18-15-22-19(23-18)16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15H2,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyMVUAJZINPWEPIR-SFHVURJKSA-N
MW321.42 g/mol
LogP3.01
Rot. Bonds7

About N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide

N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide (PubChem CID 155513647) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide.

Molecular Properties

Compound NameN-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide
PubChem CID155513647
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide
SMILESO=C(NCCCC[C@H]1CN=C(c2ccccc2)N1)c1ccccc1
InChIInChI=1S/C20H23N3O/c24-20(17-11-5-2-6-12-17)21-14-8-7-13-18-15-22-19(23-18)16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15H2,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyMVUAJZINPWEPIR-SFHVURJKSA-N
XLogP3.01
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide?
The IUPAC name of N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide (CID 155513647) is N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide.
What is the SMILES notation for N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide?
The canonical SMILES for N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide is O=C(NCCCC[C@H]1CN=C(c2ccccc2)N1)c1ccccc1.
What is the InChIKey of N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide?
The InChIKey is MVUAJZINPWEPIR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(17-11-5-2-6-12-17)21-14-8-7-13-18-15-22-19(23-18)16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15H2,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide?
N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide has a molecular weight of 321.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide is sourced from PubChem (CID 155513647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).