2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole

C21H23N3 — CID 141100452

IUPAC2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole
SMILESC=CCN1CCCC(n2c(-c3ccccc3)nc3ccccc32)C1
InChIInChI=1S/C21H23N3/c1-2-14-23-15-8-11-18(16-23)24-20-13-7-6-12-19(20)22-21(24)17-9-4-3-5-10-17/h2-7,9-10,12-13,18H,1,8,11,14-16H2
InChIKeyWTJKDJYJDDJHAQ-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.53
Rot. Bonds4

About 2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole

2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole (PubChem CID 141100452) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole
PubChem CID141100452
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole
SMILESC=CCN1CCCC(n2c(-c3ccccc3)nc3ccccc32)C1
InChIInChI=1S/C21H23N3/c1-2-14-23-15-8-11-18(16-23)24-20-13-7-6-12-19(20)22-21(24)17-9-4-3-5-10-17/h2-7,9-10,12-13,18H,1,8,11,14-16H2
InChIKeyWTJKDJYJDDJHAQ-UHFFFAOYSA-N
XLogP4.53
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole?
The IUPAC name of 2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole (CID 141100452) is 2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole.
What is the SMILES notation for 2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole?
The canonical SMILES for 2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole is C=CCN1CCCC(n2c(-c3ccccc3)nc3ccccc32)C1.
What is the InChIKey of 2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole?
The InChIKey is WTJKDJYJDDJHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-2-14-23-15-8-11-18(16-23)24-20-13-7-6-12-19(20)22-21(24)17-9-4-3-5-10-17/h2-7,9-10,12-13,18H,1,8,11,14-16H2.
What are the key properties of 2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole?
2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole has a molecular weight of 317.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(1-prop-2-enylpiperidin-3-yl)benzimidazole is sourced from PubChem (CID 141100452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).