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

C22H28N4 — CID 56900334

IUPAC2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine
SMILESNCCc1cccc(CN2CCCC(Cc3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C22H28N4/c23-11-10-17-5-3-6-18(13-17)15-26-12-4-7-19(16-26)14-22-24-20-8-1-2-9-21(20)25-22/h1-3,5-6,8-9,13,19H,4,7,10-12,14-16,23H2,(H,24,25)
InChIKeyGCMAUOMMBFGCJE-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.52
Rot. Bonds6

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

2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine (PubChem CID 56900334) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine
PubChem CID56900334
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine
SMILESNCCc1cccc(CN2CCCC(Cc3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C22H28N4/c23-11-10-17-5-3-6-18(13-17)15-26-12-4-7-19(16-26)14-22-24-20-8-1-2-9-21(20)25-22/h1-3,5-6,8-9,13,19H,4,7,10-12,14-16,23H2,(H,24,25)
InChIKeyGCMAUOMMBFGCJE-UHFFFAOYSA-N
XLogP3.52
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 95725288
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95728190
1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
CID 93242474
2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
2-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134702211
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 92628816
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-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole
CID 91837439
6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine
CID 72851412
4-[4-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 92612884

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine?
The IUPAC name of 2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine (CID 56900334) is 2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine?
The canonical SMILES for 2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine is NCCc1cccc(CN2CCCC(Cc3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine?
The InChIKey is GCMAUOMMBFGCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c23-11-10-17-5-3-6-18(13-17)15-26-12-4-7-19(16-26)14-22-24-20-8-1-2-9-21(20)25-22/h1-3,5-6,8-9,13,19H,4,7,10-12,14-16,23H2,(H,24,25).
What are the key properties of 2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine?
2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine has a molecular weight of 348.49 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine is sourced from PubChem (CID 56900334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).