1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole

C18H28N2 — CID 166657703

IUPAC1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole
SMILESC/C=C(/C(C)C)C(C)N1c2ccccc2N(CC)C1C
InChIInChI=1S/C18H28N2/c1-7-16(13(3)4)14(5)20-15(6)19(8-2)17-11-9-10-12-18(17)20/h7,9-15H,8H2,1-6H3/b16-7-
InChIKeyKAXQOVZUFMJJSE-APSNUPSMSA-N
MW272.44 g/mol
LogP4.67
Rot. Bonds4

About 1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole

1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole (PubChem CID 166657703) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole
PubChem CID166657703
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole
SMILESC/C=C(/C(C)C)C(C)N1c2ccccc2N(CC)C1C
InChIInChI=1S/C18H28N2/c1-7-16(13(3)4)14(5)20-15(6)19(8-2)17-11-9-10-12-18(17)20/h7,9-15H,8H2,1-6H3/b16-7-
InChIKeyKAXQOVZUFMJJSE-APSNUPSMSA-N
XLogP4.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole?
The IUPAC name of 1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole (CID 166657703) is 1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole.
What is the SMILES notation for 1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole?
The canonical SMILES for 1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole is C/C=C(/C(C)C)C(C)N1c2ccccc2N(CC)C1C.
What is the InChIKey of 1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole?
The InChIKey is KAXQOVZUFMJJSE-APSNUPSMSA-N. The full InChI is InChI=1S/C18H28N2/c1-7-16(13(3)4)14(5)20-15(6)19(8-2)17-11-9-10-12-18(17)20/h7,9-15H,8H2,1-6H3/b16-7-.
What are the key properties of 1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole?
1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole has a molecular weight of 272.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3-[(Z)-3-propan-2-ylpent-3-en-2-yl]-2H-benzimidazole is sourced from PubChem (CID 166657703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).