2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole

C20H20N2 — CID 143119471

IUPAC2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole
SMILESC=C(/C=C\C)c1cc2nc(C)n(-c3ccccc3)c2cc1C
InChIInChI=1S/C20H20N2/c1-5-9-14(2)18-13-19-20(12-15(18)3)22(16(4)21-19)17-10-7-6-8-11-17/h5-13H,2H2,1,3-4H3/b9-5-
InChIKeyZWHDNGPLHGRVJK-UITAMQMPSA-N
MW288.39 g/mol
LogP5.23
Rot. Bonds3

About 2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole

2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole (PubChem CID 143119471) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole
PubChem CID143119471
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole
SMILESC=C(/C=C\C)c1cc2nc(C)n(-c3ccccc3)c2cc1C
InChIInChI=1S/C20H20N2/c1-5-9-14(2)18-13-19-20(12-15(18)3)22(16(4)21-19)17-10-7-6-8-11-17/h5-13H,2H2,1,3-4H3/b9-5-
InChIKeyZWHDNGPLHGRVJK-UITAMQMPSA-N
XLogP5.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole?
The IUPAC name of 2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole (CID 143119471) is 2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole is C=C(/C=C\C)c1cc2nc(C)n(-c3ccccc3)c2cc1C.
What is the InChIKey of 2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole?
The InChIKey is ZWHDNGPLHGRVJK-UITAMQMPSA-N. The full InChI is InChI=1S/C20H20N2/c1-5-9-14(2)18-13-19-20(12-15(18)3)22(16(4)21-19)17-10-7-6-8-11-17/h5-13H,2H2,1,3-4H3/b9-5-.
What are the key properties of 2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole?
2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole has a molecular weight of 288.39 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-[(3Z)-penta-1,3-dien-2-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 143119471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).