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

C25H22Cl2N4O2 — CID 59585437

IUPAC3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCc1cc(Cl)c(CC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C25H22Cl2N4O2/c1-15-11-20(25(33)30-23-8-7-18(26)14-29-23)19(21(27)12-15)13-22(32)16-3-5-17(6-4-16)24-28-9-10-31(24)2/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,29,30,33)
InChIKeyAASLKFXWFGAVHM-UHFFFAOYSA-N
MW481.38 g/mol
LogP5.07
Rot. Bonds6

About 3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide

3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (PubChem CID 59585437) has the molecular formula C25H22Cl2N4O2 and a molecular weight of 481.38 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
PubChem CID59585437
Molecular FormulaC25H22Cl2N4O2
Molecular Weight481.38 g/mol
Exact Mass480.11
IUPAC Name3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCc1cc(Cl)c(CC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C25H22Cl2N4O2/c1-15-11-20(25(33)30-23-8-7-18(26)14-29-23)19(21(27)12-15)13-22(32)16-3-5-17(6-4-16)24-28-9-10-31(24)2/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,29,30,33)
InChIKeyAASLKFXWFGAVHM-UHFFFAOYSA-N
XLogP5.07
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{4-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-phenylcarbamoyl]-benzyl}-trimethyl-ammonium
CID 9959749
5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)benzamide
CID 10297977
5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[methyl-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-amino]-methyl}-benzoylamino)-benzamide
CID 18727836
N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-methylbenzamide
CID 18728123
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(N,N-dimethylcarbamimidoyl)phenyl]benzoyl]amino]benzamide
CID 10075735
N-[(2R)-4-[(5-chloro-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 10347471
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]benzoyl]amino]benzamide
CID 44385447
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(dimethylamino)phenyl]benzoyl]amino]benzamide
CID 44385500
2-[[4-[2-[(1-aminoethylideneamino)methyl]phenyl]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 44385552
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(4-methylpiperazin-1-yl)phenyl]benzoyl]amino]benzamide
CID 44385561
5-chloro-N-(5-chloropyridin-2-yl)-2-(4-((2-iminoimidazolidin-1-yl)methyl)benzamido)benzamide
CID 44385679
2-[[4-(3-carbamimidoylphenyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 44385753

Frequently Asked Questions

What is the IUPAC name of 3-chloro-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 3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (CID 59585437) is 3-chloro-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 3-chloro-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 3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide is Cc1cc(Cl)c(CC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of 3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The InChIKey is AASLKFXWFGAVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4O2/c1-15-11-20(25(33)30-23-8-7-18(26)14-29-23)19(21(27)12-15)13-22(32)16-3-5-17(6-4-16)24-28-9-10-31(24)2/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,29,30,33).
What are the key properties of 3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
3-chloro-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 481.38 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-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 59585437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).