N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline

C23H20N6S — CID 155546694

IUPACN-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline
SMILESCc1cccc(-c2[nH]c(CNc3ccccc3C)nc2-c2ccc3nsnc3c2)n1
InChIInChI=1S/C23H20N6S/c1-14-6-3-4-8-17(14)24-13-21-26-22(16-10-11-18-20(12-16)29-30-28-18)23(27-21)19-9-5-7-15(2)25-19/h3-12,24H,13H2,1-2H3,(H,26,27)
InChIKeyZMDZLOKVZATBIJ-UHFFFAOYSA-N
MW412.52 g/mol
LogP5.37
Rot. Bonds5

About N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline

N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline (PubChem CID 155546694) has the molecular formula C23H20N6S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline
PubChem CID155546694
Molecular FormulaC23H20N6S
Molecular Weight412.52 g/mol
Exact Mass412.15
IUPAC NameN-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline
SMILESCc1cccc(-c2[nH]c(CNc3ccccc3C)nc2-c2ccc3nsnc3c2)n1
InChIInChI=1S/C23H20N6S/c1-14-6-3-4-8-17(14)24-13-21-26-22(16-10-11-18-20(12-16)29-30-28-18)23(27-21)19-9-5-7-15(2)25-19/h3-12,24H,13H2,1-2H3,(H,26,27)
InChIKeyZMDZLOKVZATBIJ-UHFFFAOYSA-N
XLogP5.37
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Glasdegib
CID 25166913
Mavorixafor
CID 11256587
Toreforant
CID 23650961
Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Ro 90-7501
CID 824226
2-(1H-benzimidazol-2-yl)aniline
CID 79869
Chitinase
CID 50921533
2,6-Bis(benzimidazol-2-yl)pyridine
CID 738986
6H-Indolo(2,3-b)quinoxaline
CID 5356192
Ralimetinib
CID 11539025
Hemi-Babim
CID 1282

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline?
The IUPAC name of N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline (CID 155546694) is N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline.
What is the SMILES notation for N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline?
The canonical SMILES for N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline is Cc1cccc(-c2[nH]c(CNc3ccccc3C)nc2-c2ccc3nsnc3c2)n1.
What is the InChIKey of N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline?
The InChIKey is ZMDZLOKVZATBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6S/c1-14-6-3-4-8-17(14)24-13-21-26-22(16-10-11-18-20(12-16)29-30-28-18)23(27-21)19-9-5-7-15(2)25-19/h3-12,24H,13H2,1-2H3,(H,26,27).
What are the key properties of N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline?
N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline has a molecular weight of 412.52 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-methylaniline is sourced from PubChem (CID 155546694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).