6-ethyl-2-methyl-3H-benzo[f]benzimidazole

C14H14N2 — CID 90182012

IUPAC6-ethyl-2-methyl-3H-benzo[f]benzimidazole
SMILESCCc1ccc2cc3nc(C)[nH]c3cc2c1
InChIInChI=1S/C14H14N2/c1-3-10-4-5-11-7-13-14(8-12(11)6-10)16-9(2)15-13/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyHKXJCXAFJFOQBU-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.59
Rot. Bonds1

About 6-ethyl-2-methyl-3H-benzo[f]benzimidazole

6-ethyl-2-methyl-3H-benzo[f]benzimidazole (PubChem CID 90182012) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-ethyl-2-methyl-3H-benzo[f]benzimidazole.

Molecular Properties

Compound Name6-ethyl-2-methyl-3H-benzo[f]benzimidazole
PubChem CID90182012
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name6-ethyl-2-methyl-3H-benzo[f]benzimidazole
SMILESCCc1ccc2cc3nc(C)[nH]c3cc2c1
InChIInChI=1S/C14H14N2/c1-3-10-4-5-11-7-13-14(8-12(11)6-10)16-9(2)15-13/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyHKXJCXAFJFOQBU-UHFFFAOYSA-N
XLogP3.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-3H-benzo[f]benzimidazole?
The IUPAC name of 6-ethyl-2-methyl-3H-benzo[f]benzimidazole (CID 90182012) is 6-ethyl-2-methyl-3H-benzo[f]benzimidazole.
What is the SMILES notation for 6-ethyl-2-methyl-3H-benzo[f]benzimidazole?
The canonical SMILES for 6-ethyl-2-methyl-3H-benzo[f]benzimidazole is CCc1ccc2cc3nc(C)[nH]c3cc2c1.
What is the InChIKey of 6-ethyl-2-methyl-3H-benzo[f]benzimidazole?
The InChIKey is HKXJCXAFJFOQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-3-10-4-5-11-7-13-14(8-12(11)6-10)16-9(2)15-13/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of 6-ethyl-2-methyl-3H-benzo[f]benzimidazole?
6-ethyl-2-methyl-3H-benzo[f]benzimidazole has a molecular weight of 210.28 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-3H-benzo[f]benzimidazole is sourced from PubChem (CID 90182012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).