2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole

C16H25N3 — CID 129336578

IUPAC2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESC1CCc2[nH]c([C@H]3CCCN3C3CCCC3)nc2C1
InChIInChI=1S/C16H25N3/c1-2-7-12(6-1)19-11-5-10-15(19)16-17-13-8-3-4-9-14(13)18-16/h12,15H,1-11H2,(H,17,18)/t15-/m1/s1
InChIKeyKLXHARXTAMLQEL-OAHLLOKOSA-N
MW259.40 g/mol
LogP3.37
Rot. Bonds2

About 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole

2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 129336578) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID129336578
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESC1CCc2[nH]c([C@H]3CCCN3C3CCCC3)nc2C1
InChIInChI=1S/C16H25N3/c1-2-7-12(6-1)19-11-5-10-15(19)16-17-13-8-3-4-9-14(13)18-16/h12,15H,1-11H2,(H,17,18)/t15-/m1/s1
InChIKeyKLXHARXTAMLQEL-OAHLLOKOSA-N
XLogP3.37
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129476225
2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129473203
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
2-[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129351469
4-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiadiazole
CID 128979973
2-ethyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 129477813
2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129339719
N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983479
2-[(2S)-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129338470
2-[(2S)-1-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129342670
3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129477485
2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128983552

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole (CID 129336578) is 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole is C1CCc2[nH]c([C@H]3CCCN3C3CCCC3)nc2C1.
What is the InChIKey of 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is KLXHARXTAMLQEL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-7-12(6-1)19-11-5-10-15(19)16-17-13-8-3-4-9-14(13)18-16/h12,15H,1-11H2,(H,17,18)/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 259.40 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 129336578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).