2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole

C17H27N3 — CID 129343286

IUPAC2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCn1c([C@H]2CCCN2C2CCCC2)nc2c1CCCC2
InChIInChI=1S/C17H27N3/c1-19-15-10-5-4-9-14(15)18-17(19)16-11-6-12-20(16)13-7-2-3-8-13/h13,16H,2-12H2,1H3/t16-/m1/s1
InChIKeyWISIEQQBRRZAIV-MRXNPFEDSA-N
MW273.42 g/mol
LogP3.38
Rot. Bonds2

About 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole

2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 129343286) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID129343286
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCn1c([C@H]2CCCN2C2CCCC2)nc2c1CCCC2
InChIInChI=1S/C17H27N3/c1-19-15-10-5-4-9-14(15)18-17(19)16-11-6-12-20(16)13-7-2-3-8-13/h13,16H,2-12H2,1H3/t16-/m1/s1
InChIKeyWISIEQQBRRZAIV-MRXNPFEDSA-N
XLogP3.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 129343286) is 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole is Cn1c([C@H]2CCCN2C2CCCC2)nc2c1CCCC2.
What is the InChIKey of 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is WISIEQQBRRZAIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27N3/c1-19-15-10-5-4-9-14(15)18-17(19)16-11-6-12-20(16)13-7-2-3-8-13/h13,16H,2-12H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole?
2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 273.42 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 129343286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).