5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide

C23H20Cl2N6O2 — CID 18727832

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CNC2=NCCN2)cc1
InChIInChI=1S/C23H20Cl2N6O2/c24-16-5-7-19(18(11-16)22(33)31-20-8-6-17(25)13-28-20)30-21(32)15-3-1-14(2-4-15)12-29-23-26-9-10-27-23/h1-8,11,13H,9-10,12H2,(H,30,32)(H2,26,27,29)(H,28,31,33)
InChIKeyAMMKLYUCQNBEKM-UHFFFAOYSA-N
MW483.36 g/mol
LogP3.94
Rot. Bonds6

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide (PubChem CID 18727832) has the molecular formula C23H20Cl2N6O2 and a molecular weight of 483.36 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide
PubChem CID18727832
Molecular FormulaC23H20Cl2N6O2
Molecular Weight483.36 g/mol
Exact Mass482.10
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CNC2=NCCN2)cc1
InChIInChI=1S/C23H20Cl2N6O2/c24-16-5-7-19(18(11-16)22(33)31-20-8-6-17(25)13-28-20)30-21(32)15-3-1-14(2-4-15)12-29-23-26-9-10-27-23/h1-8,11,13H,9-10,12H2,(H,30,32)(H2,26,27,29)(H,28,31,33)
InChIKeyAMMKLYUCQNBEKM-UHFFFAOYSA-N
XLogP3.94
TPSA107.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[(2-aminoimidazol-1-yl)methyl]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]benzamide
CID 157408277
5-chloro-2-[[4-[[4,5-dihydro-1H-imidazol-2-yl(methyl)amino]methyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 71132806
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 142082750
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10162145
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide
CID 89432643
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842
2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine
CID 142250788
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide
CID 159853495
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepan-1-yl)benzoyl]amino]benzamide
CID 21075332
tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate
CID 20747516
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(N-ethyl-N-methylcarbamimidoyl)benzoyl]amino]benzamide
CID 44565603

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide (CID 18727832) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide is O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CNC2=NCCN2)cc1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide?
The InChIKey is AMMKLYUCQNBEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O2/c24-16-5-7-19(18(11-16)22(33)31-20-8-6-17(25)13-28-20)30-21(32)15-3-1-14(2-4-15)12-29-23-26-9-10-27-23/h1-8,11,13H,9-10,12H2,(H,30,32)(H2,26,27,29)(H,28,31,33).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide has a molecular weight of 483.36 g/mol, XLogP of 3.94, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide is sourced from PubChem (CID 18727832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).