2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole

C20H20N4 — CID 6303338

IUPAC2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(/C=C/c3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C
InChIInChI=1S/C20H20N4/c1-11-7-15-16(8-12(11)2)22-19(21-15)5-6-20-23-17-9-13(3)14(4)10-18(17)24-20/h5-10H,1-4H3,(H,21,22)(H,23,24)/b6-5+
InChIKeyJAWGKAWMDVYUQA-AATRIKPKSA-N
MW316.41 g/mol
LogP4.84
Rot. Bonds2

About 2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole

2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole (PubChem CID 6303338) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole
PubChem CID6303338
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(/C=C/c3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C
InChIInChI=1S/C20H20N4/c1-11-7-15-16(8-12(11)2)22-19(21-15)5-6-20-23-17-9-13(3)14(4)10-18(17)24-20/h5-10H,1-4H3,(H,21,22)(H,23,24)/b6-5+
InChIKeyJAWGKAWMDVYUQA-AATRIKPKSA-N
XLogP4.84
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole (CID 6303338) is 2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole is Cc1cc2nc(/C=C/c3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C.
What is the InChIKey of 2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole?
The InChIKey is JAWGKAWMDVYUQA-AATRIKPKSA-N. The full InChI is InChI=1S/C20H20N4/c1-11-7-15-16(8-12(11)2)22-19(21-15)5-6-20-23-17-9-13(3)14(4)10-18(17)24-20/h5-10H,1-4H3,(H,21,22)(H,23,24)/b6-5+.
What are the key properties of 2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole?
2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole has a molecular weight of 316.41 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 6303338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).