[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate

C20H14N2O4 — CID 67362236

IUPAC[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
SMILESO=C(O)Oc1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H14N2O4/c23-20(24)26-16-10-11-17-18(12-16)22-19(21-17)13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-12H,(H,21,22)(H,23,24)
InChIKeyMFCLBVOKABRAGZ-UHFFFAOYSA-N
MW346.34 g/mol
LogP5.08
Rot. Bonds4

About [2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate

[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate (PubChem CID 67362236) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is [2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
PubChem CID67362236
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
SMILESO=C(O)Oc1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H14N2O4/c23-20(24)26-16-10-11-17-18(12-16)22-19(21-17)13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-12H,(H,21,22)(H,23,24)
InChIKeyMFCLBVOKABRAGZ-UHFFFAOYSA-N
XLogP5.08
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.34
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(2-phenyl-3H-benzimidazol-5-yl) acetate
CID 57208111
2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile
CID 11209127
2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 10155700
N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 71717004
[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371809
[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate
CID 69373002
[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371270
methyl 2-(3-phenoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902843
2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69346240
6-phenoxy-2-phenyl-3H-quinazolin-4-one
CID 166196696

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate?
The IUPAC name of [2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate (CID 67362236) is [2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate.
What is the SMILES notation for [2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate?
The canonical SMILES for [2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate is O=C(O)Oc1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of [2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate?
The InChIKey is MFCLBVOKABRAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c23-20(24)26-16-10-11-17-18(12-16)22-19(21-17)13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-12H,(H,21,22)(H,23,24).
What are the key properties of [2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate?
[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate has a molecular weight of 346.34 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate is sourced from PubChem (CID 67362236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).