1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole

C19H26N2 — CID 54159147

IUPAC1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole
SMILESCC(C)=CCCC(C)=CCn1c(C)nc2c(C)cccc21
InChIInChI=1S/C19H26N2/c1-14(2)8-6-9-15(3)12-13-21-17(5)20-19-16(4)10-7-11-18(19)21/h7-8,10-12H,6,9,13H2,1-5H3
InChIKeyONEUSVNDOCKUMP-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.35
Rot. Bonds5

About 1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole

1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole (PubChem CID 54159147) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole
PubChem CID54159147
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole
SMILESCC(C)=CCCC(C)=CCn1c(C)nc2c(C)cccc21
InChIInChI=1S/C19H26N2/c1-14(2)8-6-9-15(3)12-13-21-17(5)20-19-16(4)10-7-11-18(19)21/h7-8,10-12H,6,9,13H2,1-5H3
InChIKeyONEUSVNDOCKUMP-UHFFFAOYSA-N
XLogP5.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2,4-dimethylbenzimidazole
CID 14933027
2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole
CID 57035606
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-1H-pyrimidine-2,4-dione
CID 6377255
4-methyl-6-(2-methylbenzimidazol-1-yl)-N-phenylmethoxyhex-4-en-1-imine;2-methyl-1-(3-methylocta-2,6-dienyl)benzimidazole
CID 161371039
5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid
CID 162821003
1-[4-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]-2-methylbenzimidazole
CID 70409517
2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
CID 54371000
6,18-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783648
2-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazole
CID 86745701
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole?
The IUPAC name of 1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole (CID 54159147) is 1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole.
What is the SMILES notation for 1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole?
The canonical SMILES for 1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole is CC(C)=CCCC(C)=CCn1c(C)nc2c(C)cccc21.
What is the InChIKey of 1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole?
The InChIKey is ONEUSVNDOCKUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14(2)8-6-9-15(3)12-13-21-17(5)20-19-16(4)10-7-11-18(19)21/h7-8,10-12H,6,9,13H2,1-5H3.
What are the key properties of 1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole?
1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole has a molecular weight of 282.43 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole is sourced from PubChem (CID 54159147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).