1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole

C20H24N3+ — CID 5067732

IUPAC1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole
SMILESc1ccc(CC2CC[NH+](Cn3cnc4ccccc43)CC2)cc1
InChIInChI=1S/C20H23N3/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)16-23-15-21-19-8-4-5-9-20(19)23/h1-9,15,18H,10-14,16H2/p+1
InChIKeySTEIURKEUZAMPH-UHFFFAOYSA-O
MW306.43 g/mol
LogP2.53
Rot. Bonds4

About 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole

1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole (PubChem CID 5067732) has the molecular formula C20H24N3+ and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole
PubChem CID5067732
Molecular FormulaC20H24N3+
Molecular Weight306.43 g/mol
Exact Mass306.20
IUPAC Name1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole
SMILESc1ccc(CC2CC[NH+](Cn3cnc4ccccc43)CC2)cc1
InChIInChI=1S/C20H23N3/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)16-23-15-21-19-8-4-5-9-20(19)23/h1-9,15,18H,10-14,16H2/p+1
InChIKeySTEIURKEUZAMPH-UHFFFAOYSA-O
XLogP2.53
TPSA22.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2422296
1-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]benzimidazole dichloride
CID 110173194
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
1-(cyclopropylmethoxymethyl)benzimidazole
CID 90028770
4-(benzimidazol-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 172582070
4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium
CID 7375018
cyclopropylmethylbenzene;ethane;methane
CID 142248267
2-(4-benzylpiperidin-1-ium-1-yl)acetamide
CID 40636152
1-(18-phenyloctadecyl)benzimidazole
CID 67925718
1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole
CID 57328320
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 18928760

Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole?
The IUPAC name of 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole (CID 5067732) is 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole?
The canonical SMILES for 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole is c1ccc(CC2CC[NH+](Cn3cnc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole?
The InChIKey is STEIURKEUZAMPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23N3/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)16-23-15-21-19-8-4-5-9-20(19)23/h1-9,15,18H,10-14,16H2/p+1.
What are the key properties of 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole?
1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole has a molecular weight of 306.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzimidazole is sourced from PubChem (CID 5067732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).