5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole

C25H30N2 — CID 58281838

IUPAC5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
SMILESCC1=C(C)C(C)=C(c2c(C)c(C)c(C3=C(C)C(C)=C(C)C3)c3c2=NCN=3)C1
InChIInChI=1S/C25H30N2/c1-12-9-20(16(5)14(12)3)22-18(7)19(8)23(25-24(22)26-11-27-25)21-10-13(2)15(4)17(21)6/h9-11H2,1-8H3
InChIKeyJRPJZBVKCPSSQM-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.54
Rot. Bonds2

About 5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole

5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole (PubChem CID 58281838) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
PubChem CID58281838
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
SMILESCC1=C(C)C(C)=C(c2c(C)c(C)c(C3=C(C)C(C)=C(C)C3)c3c2=NCN=3)C1
InChIInChI=1S/C25H30N2/c1-12-9-20(16(5)14(12)3)22-18(7)19(8)23(25-24(22)26-11-27-25)21-10-13(2)15(4)17(21)6/h9-11H2,1-8H3
InChIKeyJRPJZBVKCPSSQM-UHFFFAOYSA-N
XLogP5.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole?
The IUPAC name of 5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole (CID 58281838) is 5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole is CC1=C(C)C(C)=C(c2c(C)c(C)c(C3=C(C)C(C)=C(C)C3)c3c2=NCN=3)C1.
What is the InChIKey of 5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole?
The InChIKey is JRPJZBVKCPSSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-12-9-20(16(5)14(12)3)22-18(7)19(8)23(25-24(22)26-11-27-25)21-10-13(2)15(4)17(21)6/h9-11H2,1-8H3.
What are the key properties of 5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole?
5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole has a molecular weight of 358.53 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole is sourced from PubChem (CID 58281838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).