1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine

C26H24N10OS — CID 139324877

IUPAC1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1Cc1cccc2c1nc(N/N=C(\C)c1nccs1)n2C)c1ncco1
InChIInChI=1S/C26H24N10OS/c1-16(23-27-11-13-37-23)31-34-26-29-19-8-4-5-9-20(19)36(26)15-18-7-6-10-21-22(18)30-25(35(21)3)33-32-17(2)24-28-12-14-38-24/h4-14H,15H2,1-3H3,(H,29,34)(H,30,33)/b31-16+,32-17+
InChIKeyKVPCUHYJBXSLQA-LCTMICICSA-N
MW524.61 g/mol
LogP5.09
Rot. Bonds8

About 1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine

1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine (PubChem CID 139324877) has the molecular formula C26H24N10OS and a molecular weight of 524.61 g/mol. Its IUPAC name is 1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine
PubChem CID139324877
Molecular FormulaC26H24N10OS
Molecular Weight524.61 g/mol
Exact Mass524.19
IUPAC Name1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1Cc1cccc2c1nc(N/N=C(\C)c1nccs1)n2C)c1ncco1
InChIInChI=1S/C26H24N10OS/c1-16(23-27-11-13-37-23)31-34-26-29-19-8-4-5-9-20(19)36(26)15-18-7-6-10-21-22(18)30-25(35(21)3)33-32-17(2)24-28-12-14-38-24/h4-14H,15H2,1-3H3,(H,29,34)(H,30,33)/b31-16+,32-17+
InChIKeyKVPCUHYJBXSLQA-LCTMICICSA-N
XLogP5.09
TPSA123.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500524.61
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine?
The IUPAC name of 1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine (CID 139324877) is 1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine?
The canonical SMILES for 1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine is C/C(=N\Nc1nc2ccccc2n1Cc1cccc2c1nc(N/N=C(\C)c1nccs1)n2C)c1ncco1.
What is the InChIKey of 1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine?
The InChIKey is KVPCUHYJBXSLQA-LCTMICICSA-N. The full InChI is InChI=1S/C26H24N10OS/c1-16(23-27-11-13-37-23)31-34-26-29-19-8-4-5-9-20(19)36(26)15-18-7-6-10-21-22(18)30-25(35(21)3)33-32-17(2)24-28-12-14-38-24/h4-14H,15H2,1-3H3,(H,29,34)(H,30,33)/b31-16+,32-17+.
What are the key properties of 1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine?
1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine has a molecular weight of 524.61 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine is sourced from PubChem (CID 139324877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).