1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole

C16H18N2 — CID 89067951

IUPAC1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole
SMILESC=C(/C=C\C=C/CC)c1nc2ccccc2n1C
InChIInChI=1S/C16H18N2/c1-4-5-6-7-10-13(2)16-17-14-11-8-9-12-15(14)18(16)3/h5-12H,2,4H2,1,3H3/b6-5-,10-7-
InChIKeyAWZANZGJPBMVPK-ICZHLNMZSA-N
MW238.33 g/mol
LogP4.11
Rot. Bonds4

About 1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole

1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole (PubChem CID 89067951) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole
PubChem CID89067951
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole
SMILESC=C(/C=C\C=C/CC)c1nc2ccccc2n1C
InChIInChI=1S/C16H18N2/c1-4-5-6-7-10-13(2)16-17-14-11-8-9-12-15(14)18(16)3/h5-12H,2,4H2,1,3H3/b6-5-,10-7-
InChIKeyAWZANZGJPBMVPK-ICZHLNMZSA-N
XLogP4.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]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

N-[(1-methylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 18173
1-(1-methylbenzimidazol-2-yl)pentane-1,3-dione
CID 43114701
sodium 1-methylbenzimidazole-2-carboxylate
CID 131637939
3-methyl-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile
CID 4181267
1,2-dimethylbenzimidazole;formaldehyde;methanol
CID 90743807
(E)-3-(4-methoxyphenyl)-1-(1-methylbenzimidazol-2-yl)prop-2-en-1-one
CID 5469982
2-hepta-2,4-dien-6-yn-3-yl-1-methylbenzimidazole
CID 90999515
1-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 17027803
3-(1-methylbenzimidazol-2-yl)prop-2-enoic acid
CID 593912
hexyl 1-methylbenzimidazole-2-carboxylate
CID 135058343
3-hydroxy-4-methyl-2-(1-methylbenzimidazol-2-yl)pent-2-enenitrile
CID 5051221
(Z)-[(1-methylbenzimidazol-2-yl)-phenylmethylidene]hydrazine
CID 177414906

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole (CID 89067951) is 1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole is C=C(/C=C\C=C/CC)c1nc2ccccc2n1C.
What is the InChIKey of 1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole?
The InChIKey is AWZANZGJPBMVPK-ICZHLNMZSA-N. The full InChI is InChI=1S/C16H18N2/c1-4-5-6-7-10-13(2)16-17-14-11-8-9-12-15(14)18(16)3/h5-12H,2,4H2,1,3H3/b6-5-,10-7-.
What are the key properties of 1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole?
1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole has a molecular weight of 238.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole is sourced from PubChem (CID 89067951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).