3,6,7,8-tetrahydrocyclopenta[e]benzimidazole

C10H10N2 — CID 19688753

IUPAC3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
SMILESc1nc2c3c(ccc2[nH]1)CCC3
InChIInChI=1S/C10H10N2/c1-2-7-4-5-9-10(8(7)3-1)12-6-11-9/h4-6H,1-3H2,(H,11,12)
InChIKeyGEXCBIKMTDJAGM-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.05
Rot. Bonds

About 3,6,7,8-tetrahydrocyclopenta[e]benzimidazole

3,6,7,8-tetrahydrocyclopenta[e]benzimidazole (PubChem CID 19688753) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3,6,7,8-tetrahydrocyclopenta[e]benzimidazole.

Molecular Properties

Compound Name3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
PubChem CID19688753
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
SMILESc1nc2c3c(ccc2[nH]1)CCC3
InChIInChI=1S/C10H10N2/c1-2-7-4-5-9-10(8(7)3-1)12-6-11-9/h4-6H,1-3H2,(H,11,12)
InChIKeyGEXCBIKMTDJAGM-UHFFFAOYSA-N
XLogP2.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetrahydrocyclopenta[e]benzimidazole?
The IUPAC name of 3,6,7,8-tetrahydrocyclopenta[e]benzimidazole (CID 19688753) is 3,6,7,8-tetrahydrocyclopenta[e]benzimidazole.
What is the SMILES notation for 3,6,7,8-tetrahydrocyclopenta[e]benzimidazole?
The canonical SMILES for 3,6,7,8-tetrahydrocyclopenta[e]benzimidazole is c1nc2c3c(ccc2[nH]1)CCC3.
What is the InChIKey of 3,6,7,8-tetrahydrocyclopenta[e]benzimidazole?
The InChIKey is GEXCBIKMTDJAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-7-4-5-9-10(8(7)3-1)12-6-11-9/h4-6H,1-3H2,(H,11,12).
What are the key properties of 3,6,7,8-tetrahydrocyclopenta[e]benzimidazole?
3,6,7,8-tetrahydrocyclopenta[e]benzimidazole has a molecular weight of 158.20 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8-tetrahydrocyclopenta[e]benzimidazole is sourced from PubChem (CID 19688753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).