4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole

C26H22N4 — CID 58019390

IUPAC4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole
SMILESCc1ccc(C2=CC=C(C3=CC=C(c4ccc(C)c5c4=NCN=5)C3)C2)c2c1=NCN=2
InChIInChI=1S/C26H22N4/c1-15-3-9-21(25-23(15)27-13-29-25)19-7-5-17(11-19)18-6-8-20(12-18)22-10-4-16(2)24-26(22)30-14-28-24/h3-10H,11-14H2,1-2H3
InChIKeyZASJDAOOBKOCGI-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.85
Rot. Bonds3

About 4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole

4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole (PubChem CID 58019390) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole.

Molecular Properties

Compound Name4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole
PubChem CID58019390
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole
SMILESCc1ccc(C2=CC=C(C3=CC=C(c4ccc(C)c5c4=NCN=5)C3)C2)c2c1=NCN=2
InChIInChI=1S/C26H22N4/c1-15-3-9-21(25-23(15)27-13-29-25)19-7-5-17(11-19)18-6-8-20(12-18)22-10-4-16(2)24-26(22)30-14-28-24/h3-10H,11-14H2,1-2H3
InChIKeyZASJDAOOBKOCGI-UHFFFAOYSA-N
XLogP2.85
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole?
The IUPAC name of 4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole (CID 58019390) is 4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole.
What is the SMILES notation for 4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole?
The canonical SMILES for 4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole is Cc1ccc(C2=CC=C(C3=CC=C(c4ccc(C)c5c4=NCN=5)C3)C2)c2c1=NCN=2.
What is the InChIKey of 4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole?
The InChIKey is ZASJDAOOBKOCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c1-15-3-9-21(25-23(15)27-13-29-25)19-7-5-17(11-19)18-6-8-20(12-18)22-10-4-16(2)24-26(22)30-14-28-24/h3-10H,11-14H2,1-2H3.
What are the key properties of 4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole?
4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole has a molecular weight of 390.49 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole is sourced from PubChem (CID 58019390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).