2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole

C26H20N12 — CID 134429174

IUPAC2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole
SMILESc1ccc2c(c1)N(n1ccnc1)C(=C1N(n3ccnc3)c3ccccc3N1n1ccnc1)N2n1ccnc1
InChIInChI=1S/C26H20N12/c1-2-6-22-21(5-1)35(31-13-9-27-17-31)25(36(22)32-14-10-28-18-32)26-37(33-15-11-29-19-33)23-7-3-4-8-24(23)38(26)34-16-12-30-20-34/h1-20H
InChIKeyRGBPDRFVUNJWSL-UHFFFAOYSA-N
MW500.53 g/mol
LogP3.41
Rot. Bonds4

About 2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole

2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole (PubChem CID 134429174) has the molecular formula C26H20N12 and a molecular weight of 500.53 g/mol. Its IUPAC name is 2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole.

Molecular Properties

Compound Name2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole
PubChem CID134429174
Molecular FormulaC26H20N12
Molecular Weight500.53 g/mol
Exact Mass500.19
IUPAC Name2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole
SMILESc1ccc2c(c1)N(n1ccnc1)C(=C1N(n3ccnc3)c3ccccc3N1n1ccnc1)N2n1ccnc1
InChIInChI=1S/C26H20N12/c1-2-6-22-21(5-1)35(31-13-9-27-17-31)25(36(22)32-14-10-28-18-32)26-37(33-15-11-29-19-33)23-7-3-4-8-24(23)38(26)34-16-12-30-20-34/h1-20H
InChIKeyRGBPDRFVUNJWSL-UHFFFAOYSA-N
XLogP3.41
TPSA84.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

2-imidazol-1-ylaniline;dihydrochloride
CID 46786017
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CID 125480234
1-imidazol-1-ylpyrrolidin-3-one
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1-imidazol-1-ylquinolin-2-one
CID 91229720
1-naphthalen-1-ylimidazole;hydrochloride
CID 175383926
2-(2-imidazol-1-ylphenyl)prop-2-enoic acid
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1-[2-(isocyanatomethyl)phenyl]imidazole
CID 117288380
1-(2-phenoxyphenyl)imidazole
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1-(2,2,2-triphenylethyl)imidazole
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1-(2-imidazol-1-ylphenyl)-N,N-dimethylmethanamine
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1-[2-(2,2-dimethylpropyl)phenyl]imidazole
CID 169321927

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole?
The IUPAC name of 2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole (CID 134429174) is 2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole.
What is the SMILES notation for 2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole?
The canonical SMILES for 2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole is c1ccc2c(c1)N(n1ccnc1)C(=C1N(n3ccnc3)c3ccccc3N1n1ccnc1)N2n1ccnc1.
What is the InChIKey of 2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole?
The InChIKey is RGBPDRFVUNJWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N12/c1-2-6-22-21(5-1)35(31-13-9-27-17-31)25(36(22)32-14-10-28-18-32)26-37(33-15-11-29-19-33)23-7-3-4-8-24(23)38(26)34-16-12-30-20-34/h1-20H.
What are the key properties of 2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole?
2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole has a molecular weight of 500.53 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole is sourced from PubChem (CID 134429174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).