1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole

C22H26ClN3 — CID 118386910

IUPAC1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole
SMILESClc1ccccc1C1CCN(CCCCn2cnc3ccccc32)CC1
InChIInChI=1S/C22H26ClN3/c23-20-8-2-1-7-19(20)18-11-15-25(16-12-18)13-5-6-14-26-17-24-21-9-3-4-10-22(21)26/h1-4,7-10,17-18H,5-6,11-16H2
InChIKeyQRDLUPKTPABNNM-UHFFFAOYSA-N
MW367.92 g/mol
LogP5.35
Rot. Bonds6

About 1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole

1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole (PubChem CID 118386910) has the molecular formula C22H26ClN3 and a molecular weight of 367.92 g/mol. Its IUPAC name is 1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole.

Molecular Properties

Compound Name1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole
PubChem CID118386910
Molecular FormulaC22H26ClN3
Molecular Weight367.92 g/mol
Exact Mass367.18
IUPAC Name1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole
SMILESClc1ccccc1C1CCN(CCCCn2cnc3ccccc32)CC1
InChIInChI=1S/C22H26ClN3/c23-20-8-2-1-7-19(20)18-11-15-25(16-12-18)13-5-6-14-26-17-24-21-9-3-4-10-22(21)26/h1-4,7-10,17-18H,5-6,11-16H2
InChIKeyQRDLUPKTPABNNM-UHFFFAOYSA-N
XLogP5.35
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.92
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(2-chlorophenyl)piperidin-1-yl]hexan-1-ol
CID 97355587
5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride
CID 117067038
[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 54135393
(4aS,8aS)-2-[3-(benzimidazol-1-yl)propyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 29209446
1-(6-chlorohexyl)benzimidazole
CID 62228178
1-[2-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethoxy]ethyl]benzimidazole
CID 139918390
3-(benzimidazol-1-yl)propyl-trichlorosilane
CID 59630441
2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid
CID 82131899
1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide
CID 2809739
1-[3-[3-(benzimidazol-1-yl)propyldisulfanyl]propyl]benzimidazole
CID 159358672
bis(1-butylbenzimidazole);ethane
CID 142164287
1-[2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]benzimidazole
CID 135098174

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole?
The IUPAC name of 1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole (CID 118386910) is 1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole.
What is the SMILES notation for 1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole?
The canonical SMILES for 1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole is Clc1ccccc1C1CCN(CCCCn2cnc3ccccc32)CC1.
What is the InChIKey of 1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole?
The InChIKey is QRDLUPKTPABNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3/c23-20-8-2-1-7-19(20)18-11-15-25(16-12-18)13-5-6-14-26-17-24-21-9-3-4-10-22(21)26/h1-4,7-10,17-18H,5-6,11-16H2.
What are the key properties of 1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole?
1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole has a molecular weight of 367.92 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole is sourced from PubChem (CID 118386910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).