2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide

C22H26ClN7O — CID 56980737

IUPAC2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC2CN(c3cc(Cl)nc(-n4ccnc4)n3)CCN2C)cc1
InChIInChI=1S/C22H26ClN7O/c1-16-3-5-17(6-4-16)13-25-21(31)11-18-14-29(10-9-28(18)2)20-12-19(23)26-22(27-20)30-8-7-24-15-30/h3-8,12,15,18H,9-11,13-14H2,1-2H3,(H,25,31)
InChIKeyRFYGOJPSAVTJJX-UHFFFAOYSA-N
MW439.95 g/mol
LogP2.45
Rot. Bonds6

About 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 56980737) has the molecular formula C22H26ClN7O and a molecular weight of 439.95 g/mol. Its IUPAC name is 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID56980737
Molecular FormulaC22H26ClN7O
Molecular Weight439.95 g/mol
Exact Mass439.19
IUPAC Name2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC2CN(c3cc(Cl)nc(-n4ccnc4)n3)CCN2C)cc1
InChIInChI=1S/C22H26ClN7O/c1-16-3-5-17(6-4-16)13-25-21(31)11-18-14-29(10-9-28(18)2)20-12-19(23)26-22(27-20)30-8-7-24-15-30/h3-8,12,15,18H,9-11,13-14H2,1-2H3,(H,25,31)
InChIKeyRFYGOJPSAVTJJX-UHFFFAOYSA-N
XLogP2.45
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(3-chloro-4-methoxyphenyl)methyl]acetamide
CID 56993668
2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1,1-dimethylpiperazin-1-ium-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 87975085
2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-(2-methoxyacetyl)piperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 54318040
2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-(oxolane-2-carbonyl)piperazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 87794405
4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperazine-2-carboxamide
CID 22488782
2-[1-(4H-1,3-benzodioxin-6-ylmethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 22488938
N-(benzenesulfonyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-2-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 54465318
2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-(2-phenoxyacetyl)piperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 22488591
propan-2-yl 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-2-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 22488599
2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 54426948
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-butyl-1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide
CID 22488517
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylsulfonylpiperazin-2-yl]acetamide
CID 22488911

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 56980737) is 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CC2CN(c3cc(Cl)nc(-n4ccnc4)n3)CCN2C)cc1.
What is the InChIKey of 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is RFYGOJPSAVTJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN7O/c1-16-3-5-17(6-4-16)13-25-21(31)11-18-14-29(10-9-28(18)2)20-12-19(23)26-22(27-20)30-8-7-24-15-30/h3-8,12,15,18H,9-11,13-14H2,1-2H3,(H,25,31).
What are the key properties of 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 439.95 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 56980737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).