1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole

C17H26N2 — CID 88892156

IUPAC1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole
SMILESC/C=C(\C=C/C(C)C)C1N(C)C2=C(CCC=C2)N1C
InChIInChI=1S/C17H26N2/c1-6-14(12-11-13(2)3)17-18(4)15-9-7-8-10-16(15)19(17)5/h6-7,9,11-13,17H,8,10H2,1-5H3/b12-11-,14-6+
InChIKeyUCGHMFKUUXVDAD-WECMCUSASA-N
MW258.41 g/mol
LogP3.91
Rot. Bonds3

About 1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole

1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole (PubChem CID 88892156) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole.

Molecular Properties

Compound Name1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole
PubChem CID88892156
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole
SMILESC/C=C(\C=C/C(C)C)C1N(C)C2=C(CCC=C2)N1C
InChIInChI=1S/C17H26N2/c1-6-14(12-11-13(2)3)17-18(4)15-9-7-8-10-16(15)19(17)5/h6-7,9,11-13,17H,8,10H2,1-5H3/b12-11-,14-6+
InChIKeyUCGHMFKUUXVDAD-WECMCUSASA-N
XLogP3.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole?
The IUPAC name of 1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole (CID 88892156) is 1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole.
What is the SMILES notation for 1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole?
The canonical SMILES for 1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole is C/C=C(\C=C/C(C)C)C1N(C)C2=C(CCC=C2)N1C.
What is the InChIKey of 1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole?
The InChIKey is UCGHMFKUUXVDAD-WECMCUSASA-N. The full InChI is InChI=1S/C17H26N2/c1-6-14(12-11-13(2)3)17-18(4)15-9-7-8-10-16(15)19(17)5/h6-7,9,11-13,17H,8,10H2,1-5H3/b12-11-,14-6+.
What are the key properties of 1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole?
1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole has a molecular weight of 258.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole is sourced from PubChem (CID 88892156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).