2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide

C17H15Cl2N5O — CID 122301191

IUPAC2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nc(C)n(-c2ncc(NC(=O)c3ccc(Cl)cc3Cl)cn2)c1C
InChIInChI=1S/C17H15Cl2N5O/c1-9-10(2)24(11(3)22-9)17-20-7-13(8-21-17)23-16(25)14-5-4-12(18)6-15(14)19/h4-8H,1-3H3,(H,23,25)
InChIKeyJZBKOMGJDJKAJW-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.15
Rot. Bonds3

About 2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide

2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 122301191) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
PubChem CID122301191
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC Name2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nc(C)n(-c2ncc(NC(=O)c3ccc(Cl)cc3Cl)cn2)c1C
InChIInChI=1S/C17H15Cl2N5O/c1-9-10(2)24(11(3)22-9)17-20-7-13(8-21-17)23-16(25)14-5-4-12(18)6-15(14)19/h4-8H,1-3H3,(H,23,25)
InChIKeyJZBKOMGJDJKAJW-UHFFFAOYSA-N
XLogP4.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301170
2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301454
N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122301228
1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea
CID 122301272
5-pyridin-3-yl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]-1,2-oxazole-3-carboxamide
CID 122301419
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide
CID 110443054
5-chloro-2-hydroxy-N-(2-methylpyrimidin-5-yl)benzamide
CID 167975567
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
(E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide
CID 122301225
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide (CID 122301191) is 2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide is Cc1nc(C)n(-c2ncc(NC(=O)c3ccc(Cl)cc3Cl)cn2)c1C.
What is the InChIKey of 2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is JZBKOMGJDJKAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c1-9-10(2)24(11(3)22-9)17-20-7-13(8-21-17)23-16(25)14-5-4-12(18)6-15(14)19/h4-8H,1-3H3,(H,23,25).
What are the key properties of 2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 376.25 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122301191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).