(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol

C30H24N4O2 — CID 3113691

IUPAC(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol
SMILESO/C(=C(/O)c1nc2ccccc2n1Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C30H24N4O2/c35-27(29-31-23-15-7-9-17-25(23)33(29)19-21-11-3-1-4-12-21)28(36)30-32-24-16-8-10-18-26(24)34(30)20-22-13-5-2-6-14-22/h1-18,35-36H,19-20H2/b28-27+
InChIKeyORNVXSXRNPANMN-BYYHNAKLSA-N
MW472.55 g/mol
LogP6.42
Rot. Bonds6

About (E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol

(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol (PubChem CID 3113691) has the molecular formula C30H24N4O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is (E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol.

Molecular Properties

Compound Name(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol
PubChem CID3113691
Molecular FormulaC30H24N4O2
Molecular Weight472.55 g/mol
Exact Mass472.19
IUPAC Name(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol
SMILESO/C(=C(/O)c1nc2ccccc2n1Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C30H24N4O2/c35-27(29-31-23-15-7-9-17-25(23)33(29)19-21-11-3-1-4-12-21)28(36)30-32-24-16-8-10-18-26(24)34(30)20-22-13-5-2-6-14-22/h1-18,35-36H,19-20H2/b28-27+
InChIKeyORNVXSXRNPANMN-BYYHNAKLSA-N
XLogP6.42
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole
CID 25242148
1-benzyl-2-chlorobenzimidazole
CID 3821987
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
CID 11715904
1-benzylbenzimidazole-2-carbonitrile
CID 15363638
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-benzyl-2-propylbenzimidazole
CID 764560
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
CID 90040837
(E)-2-amino-1-(5-aminopyrazol-1-yl)-2-(1-benzylbenzimidazol-2-yl)ethenol;ethane
CID 144979695

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol?
The IUPAC name of (E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol (CID 3113691) is (E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol.
What is the SMILES notation for (E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol?
The canonical SMILES for (E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol is O/C(=C(/O)c1nc2ccccc2n1Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of (E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol?
The InChIKey is ORNVXSXRNPANMN-BYYHNAKLSA-N. The full InChI is InChI=1S/C30H24N4O2/c35-27(29-31-23-15-7-9-17-25(23)33(29)19-21-11-3-1-4-12-21)28(36)30-32-24-16-8-10-18-26(24)34(30)20-22-13-5-2-6-14-22/h1-18,35-36H,19-20H2/b28-27+.
What are the key properties of (E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol?
(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol has a molecular weight of 472.55 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol is sourced from PubChem (CID 3113691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).