2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole

C17H22N4 — CID 129339719

IUPAC2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESc1cncc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1
InChIInChI=1S/C17H22N4/c1-2-7-15-14(6-1)19-17(20-15)16-8-4-10-21(16)12-13-5-3-9-18-11-13/h3,5,9,11,16H,1-2,4,6-8,10,12H2,(H,19,20)/t16-/m1/s1
InChIKeyPBAUPSPYGOPDTO-MRXNPFEDSA-N
MW282.39 g/mol
LogP3.02
Rot. Bonds3

About 2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole

2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 129339719) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID129339719
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESc1cncc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1
InChIInChI=1S/C17H22N4/c1-2-7-15-14(6-1)19-17(20-15)16-8-4-10-21(16)12-13-5-3-9-18-11-13/h3,5,9,11,16H,1-2,4,6-8,10,12H2,(H,19,20)/t16-/m1/s1
InChIKeyPBAUPSPYGOPDTO-MRXNPFEDSA-N
XLogP3.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129473203
2-[(2S)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129477410
3-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 124992533
3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine
CID 129475343
2-[(2S)-1-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129342670
N-methyl-3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 128973937
2-[(2S)-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129338470
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-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
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-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole (CID 129339719) is 2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole is c1cncc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1.
What is the InChIKey of 2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is PBAUPSPYGOPDTO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-7-15-14(6-1)19-17(20-15)16-8-4-10-21(16)12-13-5-3-9-18-11-13/h3,5,9,11,16H,1-2,4,6-8,10,12H2,(H,19,20)/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 282.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 129339719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).