6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole

C20H28N2 — CID 59463420

IUPAC6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole
SMILESCC(C)/C=C/c1ccc2nc(C3(C(C)C)CCCC3)[nH]c2c1
InChIInChI=1S/C20H28N2/c1-14(2)7-8-16-9-10-17-18(13-16)22-19(21-17)20(15(3)4)11-5-6-12-20/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,21,22)/b8-7+
InChIKeyFQLAEAYNFCDMGO-BQYQJAHWSA-N
MW296.46 g/mol
LogP5.70
Rot. Bonds4

About 6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole

6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole (PubChem CID 59463420) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole
PubChem CID59463420
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole
SMILESCC(C)/C=C/c1ccc2nc(C3(C(C)C)CCCC3)[nH]c2c1
InChIInChI=1S/C20H28N2/c1-14(2)7-8-16-9-10-17-18(13-16)22-19(21-17)20(15(3)4)11-5-6-12-20/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,21,22)/b8-7+
InChIKeyFQLAEAYNFCDMGO-BQYQJAHWSA-N
XLogP5.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole?
The IUPAC name of 6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole (CID 59463420) is 6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole.
What is the SMILES notation for 6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole?
The canonical SMILES for 6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole is CC(C)/C=C/c1ccc2nc(C3(C(C)C)CCCC3)[nH]c2c1.
What is the InChIKey of 6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole?
The InChIKey is FQLAEAYNFCDMGO-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H28N2/c1-14(2)7-8-16-9-10-17-18(13-16)22-19(21-17)20(15(3)4)11-5-6-12-20/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,21,22)/b8-7+.
What are the key properties of 6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole?
6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole has a molecular weight of 296.46 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-methylbut-1-enyl]-2-(1-propan-2-ylcyclopentyl)-1H-benzimidazole is sourced from PubChem (CID 59463420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).