5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol

C24H20ClN7O3 — CID 142056761

IUPAC5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol
SMILESCOc1c(O)cc(Nc2ncnc(-n3c(NCc4ccc(Cl)cc4)nc4ccccc43)n2)cc1O
InChIInChI=1S/C24H20ClN7O3/c1-35-21-19(33)10-16(11-20(21)34)29-22-27-13-28-24(31-22)32-18-5-3-2-4-17(18)30-23(32)26-12-14-6-8-15(25)9-7-14/h2-11,13,33-34H,12H2,1H3,(H,26,30)(H,27,28,29,31)
InChIKeyMWUVFKTVVLTATL-UHFFFAOYSA-N
MW489.92 g/mol
LogP4.64
Rot. Bonds7

About 5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol

5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol (PubChem CID 142056761) has the molecular formula C24H20ClN7O3 and a molecular weight of 489.92 g/mol. Its IUPAC name is 5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol.

Molecular Properties

Compound Name5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol
PubChem CID142056761
Molecular FormulaC24H20ClN7O3
Molecular Weight489.92 g/mol
Exact Mass489.13
IUPAC Name5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol
SMILESCOc1c(O)cc(Nc2ncnc(-n3c(NCc4ccc(Cl)cc4)nc4ccccc43)n2)cc1O
InChIInChI=1S/C24H20ClN7O3/c1-35-21-19(33)10-16(11-20(21)34)29-22-27-13-28-24(31-22)32-18-5-3-2-4-17(18)30-23(32)26-12-14-6-8-15(25)9-7-14/h2-11,13,33-34H,12H2,1H3,(H,26,30)(H,27,28,29,31)
InChIKeyMWUVFKTVVLTATL-UHFFFAOYSA-N
XLogP4.64
TPSA130.24 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.92
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[[[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]methyl]benzenesulfonamide
CID 23535894
3-[[4-[2-[(4-methoxyphenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]benzoic acid
CID 23535805
N-(1,3-benzodioxol-5-ylmethyl)-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23536704
N-benzyl-5-methoxy-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23536718
N-prop-2-enyl-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23536696
N-(3-fluorophenyl)-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23536518
5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol
CID 23536130
3-[[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]benzoic acid
CID 23535788
1-[4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)anilino]-1,3,5-triazin-2-yl]-N-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 23535649
N-benzyl-1-[4-[3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]anilino]-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 142056712
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
3-[[1-[4-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol
CID 54584039

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol?
The IUPAC name of 5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol (CID 142056761) is 5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol.
What is the SMILES notation for 5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol?
The canonical SMILES for 5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol is COc1c(O)cc(Nc2ncnc(-n3c(NCc4ccc(Cl)cc4)nc4ccccc43)n2)cc1O.
What is the InChIKey of 5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol?
The InChIKey is MWUVFKTVVLTATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7O3/c1-35-21-19(33)10-16(11-20(21)34)29-22-27-13-28-24(31-22)32-18-5-3-2-4-17(18)30-23(32)26-12-14-6-8-15(25)9-7-14/h2-11,13,33-34H,12H2,1H3,(H,26,30)(H,27,28,29,31).
What are the key properties of 5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol?
5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol has a molecular weight of 489.92 g/mol, XLogP of 4.64, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol is sourced from PubChem (CID 142056761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).