6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

C70H69N21O2 — CID 91591174

IUPAC6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(-c2nc(C)n(CCc3nc(N)nc(N)n3)c2-c2ccc(OC)cc2)cc1.Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCc1nc(N)nc(N)n1.Nc1nc(N)nc(CCn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)n1
InChIInChI=1S/C26H23N7.C23H25N7O2.C21H21N7/c27-25-29-21(30-26(28)32-25)16-17-33-23(19-12-6-2-7-13-19)22(18-10-4-1-5-11-18)31-24(33)20-14-8-3-9-15-20;1-14-26-20(15-4-8-17(31-2)9-5-15)21(16-6-10-18(32-3)11-7-16)30(14)13-12-19-27-22(24)29-23(25)28-19;1-14-24-18(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)28(14)13-12-17-25-20(22)27-21(23)26-17/h1-15H,16-17H2,(H4,27,28,29,30,32);4-11H,12-13H2,1-3H3,(H4,24,25,27,28,29);2-11H,12-13H2,1H3,(H4,22,23,25,26,27)
InChIKeyGJSVWWKMADRLPP-UHFFFAOYSA-N
MW1236.47 g/mol
LogP10.73
Rot. Bonds18

About 6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 91591174) has the molecular formula C70H69N21O2 and a molecular weight of 1236.47 g/mol. Its IUPAC name is 6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID91591174
Molecular FormulaC70H69N21O2
Molecular Weight1236.47 g/mol
Exact Mass1235.59
IUPAC Name6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(-c2nc(C)n(CCc3nc(N)nc(N)n3)c2-c2ccc(OC)cc2)cc1.Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCc1nc(N)nc(N)n1.Nc1nc(N)nc(CCn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)n1
InChIInChI=1S/C26H23N7.C23H25N7O2.C21H21N7/c27-25-29-21(30-26(28)32-25)16-17-33-23(19-12-6-2-7-13-19)22(18-10-4-1-5-11-18)31-24(33)20-14-8-3-9-15-20;1-14-26-20(15-4-8-17(31-2)9-5-15)21(16-6-10-18(32-3)11-7-16)30(14)13-12-19-27-22(24)29-23(25)28-19;1-14-24-18(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)28(14)13-12-17-25-20(22)27-21(23)26-17/h1-15H,16-17H2,(H4,27,28,29,30,32);4-11H,12-13H2,1-3H3,(H4,24,25,27,28,29);2-11H,12-13H2,1H3,(H4,22,23,25,26,27)
InChIKeyGJSVWWKMADRLPP-UHFFFAOYSA-N
XLogP10.73
TPSA344.05 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001236.47
LogP ≤ 510.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2,5-bis(4-chlorophenyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 3732902
2-[2-(2,4-dimethoxyphenyl)-4,5-diphenylimidazol-1-yl]ethanol
CID 122385213
5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid
CID 170941551
4-[4-(2,4,5-triphenylimidazol-1-yl)butoxy]benzoic acid
CID 22916453
2-phenyl-5-[[2,4,5-tris(4-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 174813442
4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide
CID 171716810
5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 139449783
3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine
CID 55047732
ethyl 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanoate
CID 59926126
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole
CID 11825610
4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid
CID 171057667

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 91591174) is 6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine is COc1ccc(-c2nc(C)n(CCc3nc(N)nc(N)n3)c2-c2ccc(OC)cc2)cc1.Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCc1nc(N)nc(N)n1.Nc1nc(N)nc(CCn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)n1.
What is the InChIKey of 6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GJSVWWKMADRLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7.C23H25N7O2.C21H21N7/c27-25-29-21(30-26(28)32-25)16-17-33-23(19-12-6-2-7-13-19)22(18-10-4-1-5-11-18)31-24(33)20-14-8-3-9-15-20;1-14-26-20(15-4-8-17(31-2)9-5-15)21(16-6-10-18(32-3)11-7-16)30(14)13-12-19-27-22(24)29-23(25)28-19;1-14-24-18(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)28(14)13-12-17-25-20(22)27-21(23)26-17/h1-15H,16-17H2,(H4,27,28,29,30,32);4-11H,12-13H2,1-3H3,(H4,24,25,27,28,29);2-11H,12-13H2,1H3,(H4,22,23,25,26,27).
What are the key properties of 6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1236.47 g/mol, XLogP of 10.73, 18 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91591174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).