N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine

C26H24N4O4S — CID 90146224

IUPACN-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine
SMILESCOc1ccc(Nc2cncn2-c2ccc(-c3nc4cc(OC)c(OC)c(OC)c4s3)cc2)cc1
InChIInChI=1S/C26H24N4O4S/c1-31-19-11-7-17(8-12-19)28-22-14-27-15-30(22)18-9-5-16(6-10-18)26-29-20-13-21(32-2)23(33-3)24(34-4)25(20)35-26/h5-15,28H,1-4H3
InChIKeyGZLVQFFYCUJIJM-UHFFFAOYSA-N
MW488.57 g/mol
LogP5.93
Rot. Bonds8

About N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine

N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine (PubChem CID 90146224) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine
PubChem CID90146224
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC NameN-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine
SMILESCOc1ccc(Nc2cncn2-c2ccc(-c3nc4cc(OC)c(OC)c(OC)c4s3)cc2)cc1
InChIInChI=1S/C26H24N4O4S/c1-31-19-11-7-17(8-12-19)28-22-14-27-15-30(22)18-9-5-16(6-10-18)26-29-20-13-21(32-2)23(33-3)24(34-4)25(20)35-26/h5-15,28H,1-4H3
InChIKeyGZLVQFFYCUJIJM-UHFFFAOYSA-N
XLogP5.93
TPSA79.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine (CID 90146224) is N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine is COc1ccc(Nc2cncn2-c2ccc(-c3nc4cc(OC)c(OC)c(OC)c4s3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine?
The InChIKey is GZLVQFFYCUJIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-31-19-11-7-17(8-12-19)28-22-14-27-15-30(22)18-9-5-16(6-10-18)26-29-20-13-21(32-2)23(33-3)24(34-4)25(20)35-26/h5-15,28H,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine?
N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine has a molecular weight of 488.57 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine is sourced from PubChem (CID 90146224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).