2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide

C22H26N6O4S — CID 158882079

IUPAC2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nn2ccnc2C)cc(OC)c1OC.Cc1nc(-c2cccs2)cn1N
InChIInChI=1S/C14H17N3O4.C8H9N3S/c1-9-15-5-6-17(9)16-14(18)10-7-11(19-2)13(21-4)12(8-10)20-3;1-6-10-7(5-11(6)9)8-3-2-4-12-8/h5-8H,1-4H3,(H,16,18);2-5H,9H2,1H3
InChIKeyJDDNTYJWHZSWKF-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.24
Rot. Bonds6

About 2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide

2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide (PubChem CID 158882079) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is 2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound Name2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide
PubChem CID158882079
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC Name2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nn2ccnc2C)cc(OC)c1OC.Cc1nc(-c2cccs2)cn1N
InChIInChI=1S/C14H17N3O4.C8H9N3S/c1-9-15-5-6-17(9)16-14(18)10-7-11(19-2)13(21-4)12(8-10)20-3;1-6-10-7(5-11(6)9)8-3-2-4-12-8/h5-8H,1-4H3,(H,16,18);2-5H,9H2,1H3
InChIKeyJDDNTYJWHZSWKF-UHFFFAOYSA-N
XLogP3.24
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide?
The IUPAC name of 2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide (CID 158882079) is 2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide.
What is the SMILES notation for 2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide?
The canonical SMILES for 2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide is COc1cc(C(=O)Nn2ccnc2C)cc(OC)c1OC.Cc1nc(-c2cccs2)cn1N.
What is the InChIKey of 2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide?
The InChIKey is JDDNTYJWHZSWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4.C8H9N3S/c1-9-15-5-6-17(9)16-14(18)10-7-11(19-2)13(21-4)12(8-10)20-3;1-6-10-7(5-11(6)9)8-3-2-4-12-8/h5-8H,1-4H3,(H,16,18);2-5H,9H2,1H3.
What are the key properties of 2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide?
2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide has a molecular weight of 470.56 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-2-ylimidazol-1-amine;3,4,5-trimethoxy-N-(2-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 158882079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).