(4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate

C22H15N3O2 — CID 4792894

IUPAC(4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate
SMILESN#Cc1ccc(COC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C22H15N3O2/c23-13-16-5-7-17(8-6-16)14-27-22(26)18-9-11-19(12-10-18)25-15-24-20-3-1-2-4-21(20)25/h1-12,15H,14H2
InChIKeyWXXHEXABOFSIPH-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.25
Rot. Bonds4

About (4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate

(4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate (PubChem CID 4792894) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate
PubChem CID4792894
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name(4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate
SMILESN#Cc1ccc(COC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C22H15N3O2/c23-13-16-5-7-17(8-6-16)14-27-22(26)18-9-11-19(12-10-18)25-15-24-20-3-1-2-4-21(20)25/h1-12,15H,14H2
InChIKeyWXXHEXABOFSIPH-UHFFFAOYSA-N
XLogP4.25
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyanophenyl)methyl 4-hydroxybenzoate
CID 2465166
3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide
CID 169024525
(4-cyanophenyl)methyl 4-(hydroxymethyl)benzoate
CID 2637507
(4-chlorophenyl)methyl 4-cyanobenzoate
CID 2592542
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide
CID 166190288
[(2R)-1-amino-1-oxopropan-2-yl] 4-(benzimidazol-1-yl)benzoate
CID 40681031
[4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate
CID 47021865
(4-cyanophenyl)methyl 4-tert-butylbenzoate
CID 3961953
(4-cyanophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 41194671
(4-cyanophenyl)methyl 3-(2,5-dioxopyrrol-1-yl)benzoate
CID 126231804
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide
CID 55379419

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate?
The IUPAC name of (4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate (CID 4792894) is (4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate.
What is the SMILES notation for (4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate?
The canonical SMILES for (4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate is N#Cc1ccc(COC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1.
What is the InChIKey of (4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate?
The InChIKey is WXXHEXABOFSIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c23-13-16-5-7-17(8-6-16)14-27-22(26)18-9-11-19(12-10-18)25-15-24-20-3-1-2-4-21(20)25/h1-12,15H,14H2.
What are the key properties of (4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate?
(4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate has a molecular weight of 353.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate is sourced from PubChem (CID 4792894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).