1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole

C27H20N4 — CID 53382925

IUPAC1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2C(c2ccccc2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C27H20N4/c1-3-11-19(12-4-1)25(26-28-21-15-7-8-16-22(21)29-26)31-24-18-10-9-17-23(24)30-27(31)20-13-5-2-6-14-20/h1-18,25H,(H,28,29)
InChIKeyLMKVYGXBDPTSFN-UHFFFAOYSA-N
MW400.49 g/mol
LogP6.22
Rot. Bonds4

About 1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole

1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole (PubChem CID 53382925) has the molecular formula C27H20N4 and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole
PubChem CID53382925
Molecular FormulaC27H20N4
Molecular Weight400.49 g/mol
Exact Mass400.17
IUPAC Name1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2C(c2ccccc2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C27H20N4/c1-3-11-19(12-4-1)25(26-28-21-15-7-8-16-22(21)29-26)31-24-18-10-9-17-23(24)30-27(31)20-13-5-2-6-14-20/h1-18,25H,(H,28,29)
InChIKeyLMKVYGXBDPTSFN-UHFFFAOYSA-N
XLogP6.22
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole (CID 53382925) is 1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole is c1ccc(-c2nc3ccccc3n2C(c2ccccc2)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole?
The InChIKey is LMKVYGXBDPTSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4/c1-3-11-19(12-4-1)25(26-28-21-15-7-8-16-22(21)29-26)31-24-18-10-9-17-23(24)30-27(31)20-13-5-2-6-14-20/h1-18,25H,(H,28,29).
What are the key properties of 1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole?
1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole has a molecular weight of 400.49 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbenzimidazole is sourced from PubChem (CID 53382925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).