2-pentyl-1H-benzimidazole

C12H16N2 — CID 22123

IUPAC2-pentyl-1H-benzimidazole
SMILESCCCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)
InChIKeyOYGJENONTDCXGW-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.30
Rot. Bonds4

About 2-pentyl-1H-benzimidazole

2-pentyl-1H-benzimidazole (PubChem CID 22123) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-pentyl-1H-benzimidazole.

Molecular Properties

Compound Name2-pentyl-1H-benzimidazole
PubChem CID22123
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-pentyl-1H-benzimidazole
SMILESCCCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)
InChIKeyOYGJENONTDCXGW-UHFFFAOYSA-N
XLogP3.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-1H-benzimidazole?
The IUPAC name of 2-pentyl-1H-benzimidazole (CID 22123) is 2-pentyl-1H-benzimidazole.
What is the SMILES notation for 2-pentyl-1H-benzimidazole?
The canonical SMILES for 2-pentyl-1H-benzimidazole is CCCCCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-pentyl-1H-benzimidazole?
The InChIKey is OYGJENONTDCXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14).
What are the key properties of 2-pentyl-1H-benzimidazole?
2-pentyl-1H-benzimidazole has a molecular weight of 188.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1H-benzimidazole is sourced from PubChem (CID 22123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).