N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C20H23N7O — CID 72922564

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C20H23N7O/c28-19(15-25-10-12-26(13-11-25)20-22-6-3-7-23-20)24-14-17-4-1-2-5-18(17)27-9-8-21-16-27/h1-9,16H,10-15H2,(H,24,28)
InChIKeyIYATXPUXARRWEZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.10
Rot. Bonds6

About N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 72922564) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID72922564
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C20H23N7O/c28-19(15-25-10-12-26(13-11-25)20-22-6-3-7-23-20)24-14-17-4-1-2-5-18(17)27-9-8-21-16-27/h1-9,16H,10-15H2,(H,24,28)
InChIKeyIYATXPUXARRWEZ-UHFFFAOYSA-N
XLogP1.10
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595807
N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595951
N-[(2-imidazol-1-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 60580723
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
N'-[(2-imidazol-1-ylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119119768
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
2-[(2-chlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30388148
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 75442044
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 72922564) is N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ncccn2)CC1)NCc1ccccc1-n1ccnc1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is IYATXPUXARRWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c28-19(15-25-10-12-26(13-11-25)20-22-6-3-7-23-20)24-14-17-4-1-2-5-18(17)27-9-8-21-16-27/h1-9,16H,10-15H2,(H,24,28).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 377.45 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 72922564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).