2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole

C16H18N2 — CID 143057753

IUPAC2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole
SMILESC/C=C\C=C(/C=C\CC)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H18N2/c1-3-5-9-13(10-6-4-2)16-17-14-11-7-8-12-15(14)18-16/h3,5-12H,4H2,1-2H3,(H,17,18)/b5-3-,10-6-,13-9+
InChIKeyWMKRRMBGZADRCX-JXENZVEVSA-N
MW238.33 g/mol
LogP4.49
Rot. Bonds4

About 2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole

2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole (PubChem CID 143057753) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole
PubChem CID143057753
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole
SMILESC/C=C\C=C(/C=C\CC)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H18N2/c1-3-5-9-13(10-6-4-2)16-17-14-11-7-8-12-15(14)18-16/h3,5-12H,4H2,1-2H3,(H,17,18)/b5-3-,10-6-,13-9+
InChIKeyWMKRRMBGZADRCX-JXENZVEVSA-N
XLogP4.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2E,4Z)-hepta-2,4-dien-6-yn-3-yl]-1H-benzimidazole
CID 129191132
2-[(E)-hex-3-enyl]-1H-benzimidazole
CID 96559916
2-[(2Z)-4-chlorohexa-2,4-dien-3-yl]-1H-benzimidazole
CID 123996924
2-(1H-benzimidazol-2-yl)-2-sulfanylideneacetaldehyde
CID 173032352
(2-aminophenyl)-(1H-benzimidazol-2-yl)methanethione
CID 140988947
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
(E)-2-(1H-benzimidazol-2-yl)-3-ethoxyprop-2-enenitrile
CID 66489792
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
2-[(Z)-prop-1-enyl]-1H-benzimidazole
CID 6166899
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
CID 58296357
CID 58296357
(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
CID 71627908

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole (CID 143057753) is 2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole is C/C=C\C=C(/C=C\CC)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole?
The InChIKey is WMKRRMBGZADRCX-JXENZVEVSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-5-9-13(10-6-4-2)16-17-14-11-7-8-12-15(14)18-16/h3,5-12H,4H2,1-2H3,(H,17,18)/b5-3-,10-6-,13-9+.
What are the key properties of 2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole?
2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole has a molecular weight of 238.33 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]-1H-benzimidazole is sourced from PubChem (CID 143057753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).