4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine

C16H19N3 — CID 57429085

IUPAC4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine
SMILESCC(C)(N)CCn1cnc2cc3ccccc3cc21
InChIInChI=1S/C16H19N3/c1-16(2,17)7-8-19-11-18-14-9-12-5-3-4-6-13(12)10-15(14)19/h3-6,9-11H,7-8,17H2,1-2H3
InChIKeyXKYDVJAJOJGUMX-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.32
Rot. Bonds3

About 4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine

4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine (PubChem CID 57429085) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine
PubChem CID57429085
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine
SMILESCC(C)(N)CCn1cnc2cc3ccccc3cc21
InChIInChI=1S/C16H19N3/c1-16(2,17)7-8-19-11-18-14-9-12-5-3-4-6-13(12)10-15(14)19/h3-6,9-11H,7-8,17H2,1-2H3
InChIKeyXKYDVJAJOJGUMX-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine?
The IUPAC name of 4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine (CID 57429085) is 4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine.
What is the SMILES notation for 4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine?
The canonical SMILES for 4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine is CC(C)(N)CCn1cnc2cc3ccccc3cc21.
What is the InChIKey of 4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine?
The InChIKey is XKYDVJAJOJGUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-16(2,17)7-8-19-11-18-14-9-12-5-3-4-6-13(12)10-15(14)19/h3-6,9-11H,7-8,17H2,1-2H3.
What are the key properties of 4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine?
4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[f]benzimidazol-3-yl-2-methylbutan-2-amine is sourced from PubChem (CID 57429085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).