2-pentyl-2-propylbenzimidazole

C15H22N2 — CID 71153002

IUPAC2-pentyl-2-propylbenzimidazole
SMILESCCCCCC1(CCC)N=c2ccccc2=N1
InChIInChI=1S/C15H22N2/c1-3-5-8-12-15(11-4-2)16-13-9-6-7-10-14(13)17-15/h6-7,9-10H,3-5,8,11-12H2,1-2H3
InChIKeyRXDHHAFBENOTAI-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.02
Rot. Bonds6

About 2-pentyl-2-propylbenzimidazole

2-pentyl-2-propylbenzimidazole (PubChem CID 71153002) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-pentyl-2-propylbenzimidazole.

Molecular Properties

Compound Name2-pentyl-2-propylbenzimidazole
PubChem CID71153002
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-pentyl-2-propylbenzimidazole
SMILESCCCCCC1(CCC)N=c2ccccc2=N1
InChIInChI=1S/C15H22N2/c1-3-5-8-12-15(11-4-2)16-13-9-6-7-10-14(13)17-15/h6-7,9-10H,3-5,8,11-12H2,1-2H3
InChIKeyRXDHHAFBENOTAI-UHFFFAOYSA-N
XLogP3.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-pentyl-2-propylbenzimidazole?
The IUPAC name of 2-pentyl-2-propylbenzimidazole (CID 71153002) is 2-pentyl-2-propylbenzimidazole.
What is the SMILES notation for 2-pentyl-2-propylbenzimidazole?
The canonical SMILES for 2-pentyl-2-propylbenzimidazole is CCCCCC1(CCC)N=c2ccccc2=N1.
What is the InChIKey of 2-pentyl-2-propylbenzimidazole?
The InChIKey is RXDHHAFBENOTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-5-8-12-15(11-4-2)16-13-9-6-7-10-14(13)17-15/h6-7,9-10H,3-5,8,11-12H2,1-2H3.
What are the key properties of 2-pentyl-2-propylbenzimidazole?
2-pentyl-2-propylbenzimidazole has a molecular weight of 230.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-2-propylbenzimidazole is sourced from PubChem (CID 71153002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).