2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole

C21H23N5 — CID 46981222

IUPAC2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(CC3CCCN(Cc4nc5ccccc5[nH]4)C3)nc2c1
InChIInChI=1S/C21H23N5/c1-2-8-17-16(7-1)22-20(23-17)12-15-6-5-11-26(13-15)14-21-24-18-9-3-4-10-19(18)25-21/h1-4,7-10,15H,5-6,11-14H2,(H,22,23)(H,24,25)
InChIKeyGUEYXWXQYMSYHQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.89
Rot. Bonds4

About 2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole

2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole (PubChem CID 46981222) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
PubChem CID46981222
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(CC3CCCN(Cc4nc5ccccc5[nH]4)C3)nc2c1
InChIInChI=1S/C21H23N5/c1-2-8-17-16(7-1)22-20(23-17)12-15-6-5-11-26(13-15)14-21-24-18-9-3-4-10-19(18)25-21/h1-4,7-10,15H,5-6,11-14H2,(H,22,23)(H,24,25)
InChIKeyGUEYXWXQYMSYHQ-UHFFFAOYSA-N
XLogP3.89
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 95725288
2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95728190
2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56900334
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 92628816
2-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134702211
2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole
CID 46981224
1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
CID 93242474
4-[4-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 92612884
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole (CID 46981222) is 2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole is c1ccc2[nH]c(CC3CCCN(Cc4nc5ccccc5[nH]4)C3)nc2c1.
What is the InChIKey of 2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole?
The InChIKey is GUEYXWXQYMSYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-2-8-17-16(7-1)22-20(23-17)12-15-6-5-11-26(13-15)14-21-24-18-9-3-4-10-19(18)25-21/h1-4,7-10,15H,5-6,11-14H2,(H,22,23)(H,24,25).
What are the key properties of 2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole?
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole has a molecular weight of 345.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 46981222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).