N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide

C22H24Cl2N6O — CID 54171488

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
SMILESCc1cc(N2CCCCC2CC(=O)NCc2ccc(Cl)cc2Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C22H24Cl2N6O/c1-15-10-20(28-22(27-15)29-9-7-25-14-29)30-8-3-2-4-18(30)12-21(31)26-13-16-5-6-17(23)11-19(16)24/h5-7,9-11,14,18H,2-4,8,12-13H2,1H3,(H,26,31)
InChIKeyOVIVYMPGCUVYFE-UHFFFAOYSA-N
MW459.38 g/mol
LogP4.34
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide (PubChem CID 54171488) has the molecular formula C22H24Cl2N6O and a molecular weight of 459.38 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
PubChem CID54171488
Molecular FormulaC22H24Cl2N6O
Molecular Weight459.38 g/mol
Exact Mass458.14
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
SMILESCc1cc(N2CCCCC2CC(=O)NCc2ccc(Cl)cc2Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C22H24Cl2N6O/c1-15-10-20(28-22(27-15)29-9-7-25-14-29)30-8-3-2-4-18(30)12-21(31)26-13-16-5-6-17(23)11-19(16)24/h5-7,9-11,14,18H,2-4,8,12-13H2,1H3,(H,26,31)
InChIKeyOVIVYMPGCUVYFE-UHFFFAOYSA-N
XLogP4.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 22487804
N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 174355337
N-(2-cyclohex-2-en-1-ylethyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 174356290
2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 69349281
2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 69347703
N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 54214020
N-[1-(4-chlorophenyl)ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-methylpiperazin-2-yl]acetamide
CID 69347520
1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-[(4-nitrophenyl)methyl]piperidine-2-carboxamide
CID 22711914
2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 69349018
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-(2-methoxyacetyl)piperazin-2-yl]acetamide
CID 22488239
methyl 4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 69348044
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-methylpiperazin-2-yl]acetamide
CID 22488841

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide (CID 54171488) is N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide is Cc1cc(N2CCCCC2CC(=O)NCc2ccc(Cl)cc2Cl)nc(-n2ccnc2)n1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide?
The InChIKey is OVIVYMPGCUVYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N6O/c1-15-10-20(28-22(27-15)29-9-7-25-14-29)30-8-3-2-4-18(30)12-21(31)26-13-16-5-6-17(23)11-19(16)24/h5-7,9-11,14,18H,2-4,8,12-13H2,1H3,(H,26,31).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide has a molecular weight of 459.38 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide is sourced from PubChem (CID 54171488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).