1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole

C12H18N2 — CID 116626340

IUPAC1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole
SMILESC=CCCCn1cnc2c1CCCC2
InChIInChI=1S/C12H18N2/c1-2-3-6-9-14-10-13-11-7-4-5-8-12(11)14/h2,10H,1,3-9H2
InChIKeyUYBQETCOVKBEQP-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.73
Rot. Bonds4

About 1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole

1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626340) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626340
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole
SMILESC=CCCCn1cnc2c1CCCC2
InChIInChI=1S/C12H18N2/c1-2-3-6-9-14-10-13-11-7-4-5-8-12(11)14/h2,10H,1,3-9H2
InChIKeyUYBQETCOVKBEQP-UHFFFAOYSA-N
XLogP2.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole (CID 116626340) is 1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole is C=CCCCn1cnc2c1CCCC2.
What is the InChIKey of 1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is UYBQETCOVKBEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-3-6-9-14-10-13-11-7-4-5-8-12(11)14/h2,10H,1,3-9H2.
What are the key properties of 1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole?
1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 190.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).