N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide

C25H23ClN4O2 — CID 59585459

IUPACN-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCc1ccc(CC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C25H23ClN4O2/c1-16-3-4-19(21(13-16)25(32)29-23-10-9-20(26)15-28-23)14-22(31)17-5-7-18(8-6-17)24-27-11-12-30(24)2/h3-10,13,15H,11-12,14H2,1-2H3,(H,28,29,32)
InChIKeyRLFXKECWMHWRQX-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.41
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide

N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (PubChem CID 59585459) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
PubChem CID59585459
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC NameN-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCc1ccc(CC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C25H23ClN4O2/c1-16-3-4-19(21(13-16)25(32)29-23-10-9-20(26)15-28-23)14-22(31)17-5-7-18(8-6-17)24-27-11-12-30(24)2/h3-10,13,15H,11-12,14H2,1-2H3,(H,28,29,32)
InChIKeyRLFXKECWMHWRQX-UHFFFAOYSA-N
XLogP4.41
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (CID 59585459) is N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide is Cc1ccc(CC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The InChIKey is RLFXKECWMHWRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-16-3-4-19(21(13-16)25(32)29-23-10-9-20(26)15-28-23)14-22(31)17-5-7-18(8-6-17)24-27-11-12-30(24)2/h3-10,13,15H,11-12,14H2,1-2H3,(H,28,29,32).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 446.94 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 59585459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).