2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole

C17H24N2O — CID 57035606

IUPAC2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole
SMILESCC(=CCn1c(C)nc2ccccc21)CCOC(C)C
InChIInChI=1S/C17H24N2O/c1-13(2)20-12-10-14(3)9-11-19-15(4)18-16-7-5-6-8-17(16)19/h5-9,13H,10-12H2,1-4H3
InChIKeyICRDYGJMSRBKBI-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.11
Rot. Bonds6

About 2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole

2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole (PubChem CID 57035606) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole
PubChem CID57035606
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole
SMILESCC(=CCn1c(C)nc2ccccc21)CCOC(C)C
InChIInChI=1S/C17H24N2O/c1-13(2)20-12-10-14(3)9-11-19-15(4)18-16-7-5-6-8-17(16)19/h5-9,13H,10-12H2,1-4H3
InChIKeyICRDYGJMSRBKBI-UHFFFAOYSA-N
XLogP4.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole?
The IUPAC name of 2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole (CID 57035606) is 2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole.
What is the SMILES notation for 2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole?
The canonical SMILES for 2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole is CC(=CCn1c(C)nc2ccccc21)CCOC(C)C.
What is the InChIKey of 2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole?
The InChIKey is ICRDYGJMSRBKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)20-12-10-14(3)9-11-19-15(4)18-16-7-5-6-8-17(16)19/h5-9,13H,10-12H2,1-4H3.
What are the key properties of 2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole?
2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole has a molecular weight of 272.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-5-propan-2-yloxypent-2-enyl)benzimidazole is sourced from PubChem (CID 57035606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).