1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine

C13H17N3 — CID 82096716

IUPAC1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine
SMILESCC(N)c1nc2cc3c(cc2[nH]1)CCCC3
InChIInChI=1S/C13H17N3/c1-8(14)13-15-11-6-9-4-2-3-5-10(9)7-12(11)16-13/h6-8H,2-5,14H2,1H3,(H,15,16)
InChIKeyCXPTXSOALLAOPK-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.46
Rot. Bonds1

About 1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine

1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine (PubChem CID 82096716) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine
PubChem CID82096716
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine
SMILESCC(N)c1nc2cc3c(cc2[nH]1)CCCC3
InChIInChI=1S/C13H17N3/c1-8(14)13-15-11-6-9-4-2-3-5-10(9)7-12(11)16-13/h6-8H,2-5,14H2,1H3,(H,15,16)
InChIKeyCXPTXSOALLAOPK-UHFFFAOYSA-N
XLogP2.46
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine (CID 82096716) is 1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine is CC(N)c1nc2cc3c(cc2[nH]1)CCCC3.
What is the InChIKey of 1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine?
The InChIKey is CXPTXSOALLAOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-8(14)13-15-11-6-9-4-2-3-5-10(9)7-12(11)16-13/h6-8H,2-5,14H2,1H3,(H,15,16).
What are the key properties of 1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine?
1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82096716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).