4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol

C20H23N3O — CID 50978507

IUPAC4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol
SMILESCNCCCCn1cnc(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C20H23N3O/c1-21-13-5-6-14-23-15-22-19(16-7-3-2-4-8-16)20(23)17-9-11-18(24)12-10-17/h2-4,7-12,15,21,24H,5-6,13-14H2,1H3
InChIKeyRPGDXSLRXWKVJQ-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.92
Rot. Bonds7

About 4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol

4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol (PubChem CID 50978507) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol
PubChem CID50978507
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol
SMILESCNCCCCn1cnc(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C20H23N3O/c1-21-13-5-6-14-23-15-22-19(16-7-3-2-4-8-16)20(23)17-9-11-18(24)12-10-17/h2-4,7-12,15,21,24H,5-6,13-14H2,1H3
InChIKeyRPGDXSLRXWKVJQ-UHFFFAOYSA-N
XLogP3.92
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol?
The IUPAC name of 4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol (CID 50978507) is 4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol.
What is the SMILES notation for 4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol?
The canonical SMILES for 4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol is CNCCCCn1cnc(-c2ccccc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol?
The InChIKey is RPGDXSLRXWKVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-21-13-5-6-14-23-15-22-19(16-7-3-2-4-8-16)20(23)17-9-11-18(24)12-10-17/h2-4,7-12,15,21,24H,5-6,13-14H2,1H3.
What are the key properties of 4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol?
4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol has a molecular weight of 321.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol is sourced from PubChem (CID 50978507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).