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

C91H75Cl8N25O8 — CID 157408277

IUPAC2-[[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
SMILESCN1CCN=C1NCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.Nc1nccn1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CNC2=NCCN2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C24H22Cl2N6O2.C23H18Cl2N6O2.C23H20Cl2N6O2.C21H15Cl2N7O2/c1-32-11-10-27-24(32)29-13-15-2-4-16(5-3-15)22(33)30-20-8-6-17(25)12-19(20)23(34)31-21-9-7-18(26)14-28-21;24-16-5-7-19(18(11-16)22(33)30-20-8-6-17(25)12-28-20)29-21(32)15-3-1-14(2-4-15)13-31-10-9-27-23(31)26;24-16-5-7-19(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;22-15-5-7-18(17(9-15)21(32)27-19-8-6-16(23)10-24-19)26-20(31)14-3-1-13(2-4-14)11-30-12-25-28-29-30/h2-9,12,14H,10-11,13H2,1H3,(H,27,29)(H,30,33)(H,28,31,34);1-12H,13H2,(H2,26,27)(H,29,32)(H,28,30,33);1-8,11,13H,9-10,12H2,(H,30,32)(H2,26,27,29)(H,28,31,33);1-10,12H,11H2,(H,26,31)(H,24,27,32)
InChIKeyBNZCOOUCVLVSLV-UHFFFAOYSA-N
MW1930.39 g/mol
LogP16.87
Rot. Bonds24

About 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

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 (PubChem CID 157408277) has the molecular formula C91H75Cl8N25O8 and a molecular weight of 1930.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID157408277
Molecular FormulaC91H75Cl8N25O8
Molecular Weight1930.39 g/mol
Exact Mass1925.37
IUPAC Name2-[[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
SMILESCN1CCN=C1NCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.Nc1nccn1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CNC2=NCCN2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C24H22Cl2N6O2.C23H18Cl2N6O2.C23H20Cl2N6O2.C21H15Cl2N7O2/c1-32-11-10-27-24(32)29-13-15-2-4-16(5-3-15)22(33)30-20-8-6-17(25)12-19(20)23(34)31-21-9-7-18(26)14-28-21;24-16-5-7-19(18(11-16)22(33)30-20-8-6-17(25)12-28-20)29-21(32)15-3-1-14(2-4-15)13-31-10-9-27-23(31)26;24-16-5-7-19(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;22-15-5-7-18(17(9-15)21(32)27-19-8-6-16(23)10-24-19)26-20(31)14-3-1-13(2-4-14)11-30-12-25-28-29-30/h2-9,12,14H,10-11,13H2,1H3,(H,27,29)(H,30,33)(H,28,31,34);1-12H,13H2,(H2,26,27)(H,29,32)(H,28,30,33);1-8,11,13H,9-10,12H2,(H,30,32)(H2,26,27,29)(H,28,31,33);1-10,12H,11H2,(H,26,31)(H,24,27,32)
InChIKeyBNZCOOUCVLVSLV-UHFFFAOYSA-N
XLogP16.87
TPSA435.85 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001930.39
LogP ≤ 516.87
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide
CID 18727832
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
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-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide
CID 157471267
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
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepan-1-yl)benzoyl]amino]benzamide
CID 21075332
N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide
CID 120972497
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCN=C1NCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.Nc1nccn1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CNC2=NCCN2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2cnnn2)cc1.
What is the InChIKey of 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?
The InChIKey is BNZCOOUCVLVSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N6O2.C23H18Cl2N6O2.C23H20Cl2N6O2.C21H15Cl2N7O2/c1-32-11-10-27-24(32)29-13-15-2-4-16(5-3-15)22(33)30-20-8-6-17(25)12-19(20)23(34)31-21-9-7-18(26)14-28-21;24-16-5-7-19(18(11-16)22(33)30-20-8-6-17(25)12-28-20)29-21(32)15-3-1-14(2-4-15)13-31-10-9-27-23(31)26;24-16-5-7-19(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;22-15-5-7-18(17(9-15)21(32)27-19-8-6-16(23)10-24-19)26-20(31)14-3-1-13(2-4-14)11-30-12-25-28-29-30/h2-9,12,14H,10-11,13H2,1H3,(H,27,29)(H,30,33)(H,28,31,34);1-12H,13H2,(H2,26,27)(H,29,32)(H,28,30,33);1-8,11,13H,9-10,12H2,(H,30,32)(H2,26,27,29)(H,28,31,33);1-10,12H,11H2,(H,26,31)(H,24,27,32).
What are the key properties of 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?
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 has a molecular weight of 1930.39 g/mol, XLogP of 16.87, 24 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157408277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).