2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

C23H26Cl2N4O — CID 42810552

IUPAC2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cn2c(Cc3ccc(Cl)cc3Cl)nc3ccccc32)CC1
InChIInChI=1S/C23H26Cl2N4O/c1-27-11-9-18(10-12-27)28(2)23(30)15-29-21-6-4-3-5-20(21)26-22(29)13-16-7-8-17(24)14-19(16)25/h3-8,14,18H,9-13,15H2,1-2H3
InChIKeyAGDGOCARINQAOA-UHFFFAOYSA-N
MW445.39 g/mol
LogP4.49
Rot. Bonds5

About 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 42810552) has the molecular formula C23H26Cl2N4O and a molecular weight of 445.39 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID42810552
Molecular FormulaC23H26Cl2N4O
Molecular Weight445.39 g/mol
Exact Mass444.15
IUPAC Name2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cn2c(Cc3ccc(Cl)cc3Cl)nc3ccccc32)CC1
InChIInChI=1S/C23H26Cl2N4O/c1-27-11-9-18(10-12-27)28(2)23(30)15-29-21-6-4-3-5-20(21)26-22(29)13-16-7-8-17(24)14-19(16)25/h3-8,14,18H,9-13,15H2,1-2H3
InChIKeyAGDGOCARINQAOA-UHFFFAOYSA-N
XLogP4.49
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 42810558
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
N-cyclohexyl-N-methyl-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 16999536
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441759
N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969915
(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301248
N-[(2,4-dichlorophenyl)methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 9403656
N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 16995805
2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16997253
N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999431
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
tert-butyl N-[(3S)-1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]-N-methylcarbamate
CID 97166954

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (CID 42810552) is 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(C)C(=O)Cn2c(Cc3ccc(Cl)cc3Cl)nc3ccccc32)CC1.
What is the InChIKey of 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is AGDGOCARINQAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O/c1-27-11-9-18(10-12-27)28(2)23(30)15-29-21-6-4-3-5-20(21)26-22(29)13-16-7-8-17(24)14-19(16)25/h3-8,14,18H,9-13,15H2,1-2H3.
What are the key properties of 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 445.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 42810552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).