1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole

C30H26N4 — CID 18345771

IUPAC1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole
SMILESCCn1c(-c2ccccc2-c2ccccc2-c2nc3ccccc3n2CC)nc2ccccc21
InChIInChI=1S/C30H26N4/c1-3-33-27-19-11-9-17-25(27)31-29(33)23-15-7-5-13-21(23)22-14-6-8-16-24(22)30-32-26-18-10-12-20-28(26)34(30)4-2/h5-20H,3-4H2,1-2H3
InChIKeyZFCXXQYVRDJSAV-UHFFFAOYSA-N
MW442.57 g/mol
LogP7.43
Rot. Bonds5

About 1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole

1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole (PubChem CID 18345771) has the molecular formula C30H26N4 and a molecular weight of 442.57 g/mol. Its IUPAC name is 1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole
PubChem CID18345771
Molecular FormulaC30H26N4
Molecular Weight442.57 g/mol
Exact Mass442.22
IUPAC Name1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole
SMILESCCn1c(-c2ccccc2-c2ccccc2-c2nc3ccccc3n2CC)nc2ccccc21
InChIInChI=1S/C30H26N4/c1-3-33-27-19-11-9-17-25(27)31-29(33)23-15-7-5-13-21(23)22-14-6-8-16-24(22)30-32-26-18-10-12-20-28(26)34(30)4-2/h5-20H,3-4H2,1-2H3
InChIKeyZFCXXQYVRDJSAV-UHFFFAOYSA-N
XLogP7.43
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole (CID 18345771) is 1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole is CCn1c(-c2ccccc2-c2ccccc2-c2nc3ccccc3n2CC)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole?
The InChIKey is ZFCXXQYVRDJSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4/c1-3-33-27-19-11-9-17-25(27)31-29(33)23-15-7-5-13-21(23)22-14-6-8-16-24(22)30-32-26-18-10-12-20-28(26)34(30)4-2/h5-20H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole?
1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole has a molecular weight of 442.57 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-[2-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]benzimidazole is sourced from PubChem (CID 18345771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).