1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole

C23H28N4 — CID 102101341

IUPAC1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole
SMILESCC(C)N1C(=C=C2N(C)c3ccccc3N2C(C)C)N(C)c2ccccc21
InChIInChI=1S/C23H28N4/c1-16(2)26-20-13-9-7-11-18(20)24(5)22(26)15-23-25(6)19-12-8-10-14-21(19)27(23)17(3)4/h7-14,16-17H,1-6H3
InChIKeyVEKOZLFYECCTSC-UHFFFAOYSA-N
MW360.51 g/mol
LogP5.00
Rot. Bonds2

About 1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole

1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole (PubChem CID 102101341) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole
PubChem CID102101341
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole
SMILESCC(C)N1C(=C=C2N(C)c3ccccc3N2C(C)C)N(C)c2ccccc21
InChIInChI=1S/C23H28N4/c1-16(2)26-20-13-9-7-11-18(20)24(5)22(26)15-23-25(6)19-12-8-10-14-21(19)27(23)17(3)4/h7-14,16-17H,1-6H3
InChIKeyVEKOZLFYECCTSC-UHFFFAOYSA-N
XLogP5.00
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole?
The IUPAC name of 1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole (CID 102101341) is 1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole?
The canonical SMILES for 1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole is CC(C)N1C(=C=C2N(C)c3ccccc3N2C(C)C)N(C)c2ccccc21.
What is the InChIKey of 1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole?
The InChIKey is VEKOZLFYECCTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-16(2)26-20-13-9-7-11-18(20)24(5)22(26)15-23-25(6)19-12-8-10-14-21(19)27(23)17(3)4/h7-14,16-17H,1-6H3.
What are the key properties of 1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole?
1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole has a molecular weight of 360.51 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1-methyl-3-propan-2-ylbenzimidazol-2-ylidene)methylidene]-3-propan-2-ylbenzimidazole is sourced from PubChem (CID 102101341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).