N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

C20H22ClN7O — CID 122345347

IUPACN-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCc1ncn(-c2cc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)ncn2)c1C
InChIInChI=1S/C20H22ClN7O/c1-14-15(2)28(13-24-14)19-11-18(22-12-23-19)26-7-9-27(10-8-26)20(29)25-17-6-4-3-5-16(17)21/h3-6,11-13H,7-10H2,1-2H3,(H,25,29)
InChIKeyZUQQREBZTJBLCU-UHFFFAOYSA-N
MW411.90 g/mol
LogP3.29
Rot. Bonds3

About N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 122345347) has the molecular formula C20H22ClN7O and a molecular weight of 411.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID122345347
Molecular FormulaC20H22ClN7O
Molecular Weight411.90 g/mol
Exact Mass411.16
IUPAC NameN-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCc1ncn(-c2cc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)ncn2)c1C
InChIInChI=1S/C20H22ClN7O/c1-14-15(2)28(13-24-14)19-11-18(22-12-23-19)26-7-9-27(10-8-26)20(29)25-17-6-4-3-5-16(17)21/h3-6,11-13H,7-10H2,1-2H3,(H,25,29)
InChIKeyZUQQREBZTJBLCU-UHFFFAOYSA-N
XLogP3.29
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.90
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56920198
N-(2-chlorophenyl)-4-[6-(3,4-dimethoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53104072
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122345337
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 70703030
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 70703532
N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921210
N-(2-chlorophenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508111
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 56923292
2-(2,4-dichlorophenoxy)-1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122345328
(4-bromophenyl)-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122345630
(2,5-dichlorothiophen-3-yl)-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122345540
[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122345425

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide (CID 122345347) is N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide is Cc1ncn(-c2cc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)ncn2)c1C.
What is the InChIKey of N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is ZUQQREBZTJBLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7O/c1-14-15(2)28(13-24-14)19-11-18(22-12-23-19)26-7-9-27(10-8-26)20(29)25-17-6-4-3-5-16(17)21/h3-6,11-13H,7-10H2,1-2H3,(H,25,29).
What are the key properties of N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 411.90 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122345347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).