6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole

C19H18N4 — CID 54501335

IUPAC6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole
SMILESCCC=CCc1nc2ccc(-c3ccc4nc[nH]c4c3)cc2[nH]1
InChIInChI=1S/C19H18N4/c1-2-3-4-5-19-22-16-9-7-14(11-18(16)23-19)13-6-8-15-17(10-13)21-12-20-15/h3-4,6-12H,2,5H2,1H3,(H,20,21)(H,22,23)
InChIKeyYCQFSSMBHRBEOJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.61
Rot. Bonds4

About 6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole

6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole (PubChem CID 54501335) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole
PubChem CID54501335
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole
SMILESCCC=CCc1nc2ccc(-c3ccc4nc[nH]c4c3)cc2[nH]1
InChIInChI=1S/C19H18N4/c1-2-3-4-5-19-22-16-9-7-14(11-18(16)23-19)13-6-8-15-17(10-13)21-12-20-15/h3-4,6-12H,2,5H2,1H3,(H,20,21)(H,22,23)
InChIKeyYCQFSSMBHRBEOJ-UHFFFAOYSA-N
XLogP4.61
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.61
H-Bond Donors ≤ 52
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 6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole?
The IUPAC name of 6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole (CID 54501335) is 6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole.
What is the SMILES notation for 6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole?
The canonical SMILES for 6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole is CCC=CCc1nc2ccc(-c3ccc4nc[nH]c4c3)cc2[nH]1.
What is the InChIKey of 6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole?
The InChIKey is YCQFSSMBHRBEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-2-3-4-5-19-22-16-9-7-14(11-18(16)23-19)13-6-8-15-17(10-13)21-12-20-15/h3-4,6-12H,2,5H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole?
6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole has a molecular weight of 302.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-yl)-2-pent-2-enyl-1H-benzimidazole is sourced from PubChem (CID 54501335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).