2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine

C21H26N4 — CID 83975997

IUPAC2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine
SMILESNCC(c1nc2ccccc2[nH]1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N4/c22-14-18(21-23-19-8-4-5-9-20(19)24-21)17-10-12-25(13-11-17)15-16-6-2-1-3-7-16/h1-9,17-18H,10-15,22H2,(H,23,24)
InChIKeyCBOOFYKOZRUTLZ-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.52
Rot. Bonds5

About 2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine

2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine (PubChem CID 83975997) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine
PubChem CID83975997
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine
SMILESNCC(c1nc2ccccc2[nH]1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N4/c22-14-18(21-23-19-8-4-5-9-20(19)24-21)17-10-12-25(13-11-17)15-16-6-2-1-3-7-16/h1-9,17-18H,10-15,22H2,(H,23,24)
InChIKeyCBOOFYKOZRUTLZ-UHFFFAOYSA-N
XLogP3.52
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83976007
2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine
CID 83976004
(1R)-2-amino-1-(1-benzylpiperidin-4-yl)ethanol
CID 96813761
3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol
CID 83977147
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
2-(1-benzylpiperidin-4-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 112539179
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole
CID 155518726
2-[[4-(1-benzylpiperidin-4-yl)sulfanyl-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;hydrate;hydrochloride
CID 19963105
2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
CID 139651881

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine (CID 83975997) is 2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine is NCC(c1nc2ccccc2[nH]1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine?
The InChIKey is CBOOFYKOZRUTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c22-14-18(21-23-19-8-4-5-9-20(19)24-21)17-10-12-25(13-11-17)15-16-6-2-1-3-7-16/h1-9,17-18H,10-15,22H2,(H,23,24).
What are the key properties of 2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine?
2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine has a molecular weight of 334.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 83975997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).