2-pentan-3-yl-1-prop-2-enylbenzimidazole

C15H20N2 — CID 940009

IUPAC2-pentan-3-yl-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(C(CC)CC)nc2ccccc21
InChIInChI=1S/C15H20N2/c1-4-11-17-14-10-8-7-9-13(14)16-15(17)12(5-2)6-3/h4,7-10,12H,1,5-6,11H2,2-3H3
InChIKeyRULRBRJNTKCLLS-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.13
Rot. Bonds5

About 2-pentan-3-yl-1-prop-2-enylbenzimidazole

2-pentan-3-yl-1-prop-2-enylbenzimidazole (PubChem CID 940009) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-pentan-3-yl-1-prop-2-enylbenzimidazole.

Molecular Properties

Compound Name2-pentan-3-yl-1-prop-2-enylbenzimidazole
PubChem CID940009
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-pentan-3-yl-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(C(CC)CC)nc2ccccc21
InChIInChI=1S/C15H20N2/c1-4-11-17-14-10-8-7-9-13(14)16-15(17)12(5-2)6-3/h4,7-10,12H,1,5-6,11H2,2-3H3
InChIKeyRULRBRJNTKCLLS-UHFFFAOYSA-N
XLogP4.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pentan-3-yl-1-prop-2-enylbenzimidazole?
The IUPAC name of 2-pentan-3-yl-1-prop-2-enylbenzimidazole (CID 940009) is 2-pentan-3-yl-1-prop-2-enylbenzimidazole.
What is the SMILES notation for 2-pentan-3-yl-1-prop-2-enylbenzimidazole?
The canonical SMILES for 2-pentan-3-yl-1-prop-2-enylbenzimidazole is C=CCn1c(C(CC)CC)nc2ccccc21.
What is the InChIKey of 2-pentan-3-yl-1-prop-2-enylbenzimidazole?
The InChIKey is RULRBRJNTKCLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-11-17-14-10-8-7-9-13(14)16-15(17)12(5-2)6-3/h4,7-10,12H,1,5-6,11H2,2-3H3.
What are the key properties of 2-pentan-3-yl-1-prop-2-enylbenzimidazole?
2-pentan-3-yl-1-prop-2-enylbenzimidazole has a molecular weight of 228.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-1-prop-2-enylbenzimidazole is sourced from PubChem (CID 940009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).