3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole

C12H18N2 — CID 21479320

IUPAC3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole
SMILESC1=CC2NCN(C3CCCC3)C2C=C1
InChIInChI=1S/C12H18N2/c1-2-6-10(5-1)14-9-13-11-7-3-4-8-12(11)14/h3-4,7-8,10-13H,1-2,5-6,9H2
InChIKeyIZCUHEJKTWZKHH-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.65
Rot. Bonds1

About 3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole

3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole (PubChem CID 21479320) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole.

Molecular Properties

Compound Name3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole
PubChem CID21479320
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole
SMILESC1=CC2NCN(C3CCCC3)C2C=C1
InChIInChI=1S/C12H18N2/c1-2-6-10(5-1)14-9-13-11-7-3-4-8-12(11)14/h3-4,7-8,10-13H,1-2,5-6,9H2
InChIKeyIZCUHEJKTWZKHH-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole?
The IUPAC name of 3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole (CID 21479320) is 3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole.
What is the SMILES notation for 3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole?
The canonical SMILES for 3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole is C1=CC2NCN(C3CCCC3)C2C=C1.
What is the InChIKey of 3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole?
The InChIKey is IZCUHEJKTWZKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-6-10(5-1)14-9-13-11-7-3-4-8-12(11)14/h3-4,7-8,10-13H,1-2,5-6,9H2.
What are the key properties of 3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole?
3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole has a molecular weight of 190.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1,2,3a,7a-tetrahydrobenzimidazole is sourced from PubChem (CID 21479320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).