2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole

C30H24N6 — CID 59342697

IUPAC2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole
SMILESCn1c(-c2cc(-c3nc4ccccc4n3C)cc(-c3nc4ccccc4n3C)c2)nc2ccccc21
InChIInChI=1S/C30H24N6/c1-34-25-13-7-4-10-22(25)31-28(34)19-16-20(29-32-23-11-5-8-14-26(23)35(29)2)18-21(17-19)30-33-24-12-6-9-15-27(24)36(30)3/h4-18H,1-3H3
InChIKeyQELSQDFCYIEGRN-UHFFFAOYSA-N
MW468.56 g/mol
LogP6.35
Rot. Bonds3

About 2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole

2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole (PubChem CID 59342697) has the molecular formula C30H24N6 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole
PubChem CID59342697
Molecular FormulaC30H24N6
Molecular Weight468.56 g/mol
Exact Mass468.21
IUPAC Name2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole
SMILESCn1c(-c2cc(-c3nc4ccccc4n3C)cc(-c3nc4ccccc4n3C)c2)nc2ccccc21
InChIInChI=1S/C30H24N6/c1-34-25-13-7-4-10-22(25)31-28(34)19-16-20(29-32-23-11-5-8-14-26(23)35(29)2)18-21(17-19)30-33-24-12-6-9-15-27(24)36(30)3/h4-18H,1-3H3
InChIKeyQELSQDFCYIEGRN-UHFFFAOYSA-N
XLogP6.35
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole?
The IUPAC name of 2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole (CID 59342697) is 2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole is Cn1c(-c2cc(-c3nc4ccccc4n3C)cc(-c3nc4ccccc4n3C)c2)nc2ccccc21.
What is the InChIKey of 2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole?
The InChIKey is QELSQDFCYIEGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6/c1-34-25-13-7-4-10-22(25)31-28(34)19-16-20(29-32-23-11-5-8-14-26(23)35(29)2)18-21(17-19)30-33-24-12-6-9-15-27(24)36(30)3/h4-18H,1-3H3.
What are the key properties of 2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole?
2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole has a molecular weight of 468.56 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole is sourced from PubChem (CID 59342697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).