2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole

C17H20N2 — CID 58427029

IUPAC2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole
SMILESCC(C)c1nc2c(ccc3cccc(C(C)C)c32)[nH]1
InChIInChI=1S/C17H20N2/c1-10(2)13-7-5-6-12-8-9-14-16(15(12)13)19-17(18-14)11(3)4/h5-11H,1-4H3,(H,18,19)
InChIKeyNVYPVRXGDKROQR-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.96
Rot. Bonds2

About 2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole

2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole (PubChem CID 58427029) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole.

Molecular Properties

Compound Name2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole
PubChem CID58427029
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole
SMILESCC(C)c1nc2c(ccc3cccc(C(C)C)c32)[nH]1
InChIInChI=1S/C17H20N2/c1-10(2)13-7-5-6-12-8-9-14-16(15(12)13)19-17(18-14)11(3)4/h5-11H,1-4H3,(H,18,19)
InChIKeyNVYPVRXGDKROQR-UHFFFAOYSA-N
XLogP4.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole?
The IUPAC name of 2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole (CID 58427029) is 2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole.
What is the SMILES notation for 2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole?
The canonical SMILES for 2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole is CC(C)c1nc2c(ccc3cccc(C(C)C)c32)[nH]1.
What is the InChIKey of 2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole?
The InChIKey is NVYPVRXGDKROQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-10(2)13-7-5-6-12-8-9-14-16(15(12)13)19-17(18-14)11(3)4/h5-11H,1-4H3,(H,18,19).
What are the key properties of 2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole?
2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole has a molecular weight of 252.36 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole is sourced from PubChem (CID 58427029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).