2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole

C23H29N5 — CID 45199332

IUPAC2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole
SMILESc1cncc(CN2CCC(C3CCN(Cc4nc5ccccc5[nH]4)C3)CC2)c1
InChIInChI=1S/C23H29N5/c1-2-6-22-21(5-1)25-23(26-22)17-28-13-9-20(16-28)19-7-11-27(12-8-19)15-18-4-3-10-24-14-18/h1-6,10,14,19-20H,7-9,11-13,15-17H2,(H,25,26)
InChIKeySUDBQRVSXVYQOC-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.69
Rot. Bonds5

About 2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole

2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole (PubChem CID 45199332) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole
PubChem CID45199332
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole
SMILESc1cncc(CN2CCC(C3CCN(Cc4nc5ccccc5[nH]4)C3)CC2)c1
InChIInChI=1S/C23H29N5/c1-2-6-22-21(5-1)25-23(26-22)17-28-13-9-20(16-28)19-7-11-27(12-8-19)15-18-4-3-10-24-14-18/h1-6,10,14,19-20H,7-9,11-13,15-17H2,(H,25,26)
InChIKeySUDBQRVSXVYQOC-UHFFFAOYSA-N
XLogP3.69
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 11300847
(4aR,8aS)-6-(1H-benzimidazol-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine;dihydrochloride
CID 154924128
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
CID 115314474
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
2-[5-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenyl]thiophen-2-yl]-1H-benzimidazole
CID 44530526
3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine
CID 42293192
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
4-methyl-2-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
CID 42394785
4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine
CID 45220184

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole (CID 45199332) is 2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole is c1cncc(CN2CCC(C3CCN(Cc4nc5ccccc5[nH]4)C3)CC2)c1.
What is the InChIKey of 2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is SUDBQRVSXVYQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-2-6-22-21(5-1)25-23(26-22)17-28-13-9-20(16-28)19-7-11-27(12-8-19)15-18-4-3-10-24-14-18/h1-6,10,14,19-20H,7-9,11-13,15-17H2,(H,25,26).
What are the key properties of 2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole?
2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 375.52 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 45199332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).