bis(benzimidazol-1-yl) carbonate

C15H10N4O3 — CID 57193653

IUPACbis(benzimidazol-1-yl) carbonate
SMILESO=C(On1cnc2ccccc21)On1cnc2ccccc21
InChIInChI=1S/C15H10N4O3/c20-15(21-18-9-16-11-5-1-3-7-13(11)18)22-19-10-17-12-6-2-4-8-14(12)19/h1-10H
InChIKeyPDMGUVKYHPZJHH-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.06
Rot. Bonds2

About bis(benzimidazol-1-yl) carbonate

bis(benzimidazol-1-yl) carbonate (PubChem CID 57193653) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is bis(benzimidazol-1-yl) carbonate.

Molecular Properties

Compound Namebis(benzimidazol-1-yl) carbonate
PubChem CID57193653
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Namebis(benzimidazol-1-yl) carbonate
SMILESO=C(On1cnc2ccccc21)On1cnc2ccccc21
InChIInChI=1S/C15H10N4O3/c20-15(21-18-9-16-11-5-1-3-7-13(11)18)22-19-10-17-12-6-2-4-8-14(12)19/h1-10H
InChIKeyPDMGUVKYHPZJHH-UHFFFAOYSA-N
XLogP2.06
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

benzimidazol-1-yloxyboronic acid
CID 160806314
benzimidazol-1-yl sulfite
CID 57025015
N-(benzimidazol-1-yl)acetamide
CID 2318657
bromomethyl benzimidazole-1-carboxylate
CID 135347541
1-hydroxybenzimidazole;hydrate
CID 22048229
benzimidazol-1-ylcarbamic acid
CID 21218422
1-prop-2-enoxybenzimidazole
CID 45078219
CID 87571723
CID 87571723
1-(2,2-difluoroethoxy)benzimidazole
CID 173023567
2-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 82235137
2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
CID 166930267
ethyl 3,3-bis(benzimidazol-1-yl)prop-2-enoate
CID 15564125

Frequently Asked Questions

What is the IUPAC name of bis(benzimidazol-1-yl) carbonate?
The IUPAC name of bis(benzimidazol-1-yl) carbonate (CID 57193653) is bis(benzimidazol-1-yl) carbonate.
What is the SMILES notation for bis(benzimidazol-1-yl) carbonate?
The canonical SMILES for bis(benzimidazol-1-yl) carbonate is O=C(On1cnc2ccccc21)On1cnc2ccccc21.
What is the InChIKey of bis(benzimidazol-1-yl) carbonate?
The InChIKey is PDMGUVKYHPZJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3/c20-15(21-18-9-16-11-5-1-3-7-13(11)18)22-19-10-17-12-6-2-4-8-14(12)19/h1-10H.
What are the key properties of bis(benzimidazol-1-yl) carbonate?
bis(benzimidazol-1-yl) carbonate has a molecular weight of 294.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzimidazol-1-yl) carbonate is sourced from PubChem (CID 57193653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).