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

C11H12N2 — CID 89393478

IUPAC2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
SMILESCc1nc2c3c(ccc2[nH]1)CCC3
InChIInChI=1S/C11H12N2/c1-7-12-10-6-5-8-3-2-4-9(8)11(10)13-7/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyMSISSPRXYHYJDU-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.36
Rot. Bonds

About 2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole

2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole (PubChem CID 89393478) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole.

Molecular Properties

Compound Name2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
PubChem CID89393478
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
SMILESCc1nc2c3c(ccc2[nH]1)CCC3
InChIInChI=1S/C11H12N2/c1-7-12-10-6-5-8-3-2-4-9(8)11(10)13-7/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyMSISSPRXYHYJDU-UHFFFAOYSA-N
XLogP2.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole?
The IUPAC name of 2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole (CID 89393478) is 2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole.
What is the SMILES notation for 2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole?
The canonical SMILES for 2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole is Cc1nc2c3c(ccc2[nH]1)CCC3.
What is the InChIKey of 2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole?
The InChIKey is MSISSPRXYHYJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-7-12-10-6-5-8-3-2-4-9(8)11(10)13-7/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole?
2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole has a molecular weight of 172.23 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole is sourced from PubChem (CID 89393478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).