2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole

C23H28ClN3O — CID 10649407

IUPAC2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole
SMILESCc1ccc2nc(COc3ccc(Cl)cc3)n(CCCC3CCCNC3)c2c1
InChIInChI=1S/C23H28ClN3O/c1-17-6-11-21-22(14-17)27(13-3-5-18-4-2-12-25-15-18)23(26-21)16-28-20-9-7-19(24)8-10-20/h6-11,14,18,25H,2-5,12-13,15-16H2,1H3
InChIKeyVJWQAHHTDBVHQG-UHFFFAOYSA-N
MW397.95 g/mol
LogP5.36
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole

2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole (PubChem CID 10649407) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole
PubChem CID10649407
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole
SMILESCc1ccc2nc(COc3ccc(Cl)cc3)n(CCCC3CCCNC3)c2c1
InChIInChI=1S/C23H28ClN3O/c1-17-6-11-21-22(14-17)27(13-3-5-18-4-2-12-25-15-18)23(26-21)16-28-20-9-7-19(24)8-10-20/h6-11,14,18,25H,2-5,12-13,15-16H2,1H3
InChIKeyVJWQAHHTDBVHQG-UHFFFAOYSA-N
XLogP5.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.95
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-3-ylpropyl)benzimidazole
CID 10601376
2-[(4-chlorophenoxy)methyl]-4,5-dimethyl-1-(3-piperidin-3-ylpropyl)benzimidazole
CID 21188696
2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-1-ium-3-ylpropyl)benzimidazole;2,2,2-trifluoroacetate
CID 10649406
2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole
CID 3631447
1-fluorobutyl 3-[3-[2-[(4-chlorophenoxy)methyl]-5-methylbenzimidazol-1-yl]propyl]piperidine-1-carboxylate
CID 67634706
2-[(4-chlorophenoxy)methyl]-4,5-dimethyl-1-[3-(1-methylpiperidin-3-yl)propyl]benzimidazole
CID 20669096
2-[(4-chlorophenoxy)methyl]-4-(cyclohexylmethoxy)-1-(3-piperidin-4-ylpropyl)benzimidazole
CID 20669101
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 21188655
1-(3-bromopropyl)-2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazole
CID 21188832
2-[(4-chlorophenoxy)methyl]-4,5-dimethyl-6-(3-piperidin-3-ylpropyl)-1H-benzimidazole
CID 67623419
2-[(4-chlorophenoxy)methyl]-5-methyl-4-(3-piperidin-3-ylpropyl)-1H-benzimidazole
CID 67622542

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole (CID 10649407) is 2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole is Cc1ccc2nc(COc3ccc(Cl)cc3)n(CCCC3CCCNC3)c2c1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole?
The InChIKey is VJWQAHHTDBVHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c1-17-6-11-21-22(14-17)27(13-3-5-18-4-2-12-25-15-18)23(26-21)16-28-20-9-7-19(24)8-10-20/h6-11,14,18,25H,2-5,12-13,15-16H2,1H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole?
2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole has a molecular weight of 397.95 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-6-methyl-1-(3-piperidin-3-ylpropyl)benzimidazole is sourced from PubChem (CID 10649407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).