2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile

C21H15N3O — CID 11244256

IUPAC2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(Cc3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C21H15N3O/c22-14-16-8-11-19-20(12-16)24-21(23-19)13-15-6-9-18(10-7-15)25-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,24)
InChIKeyFCSAXAFSJHHBEE-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.82
Rot. Bonds4

About 2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile

2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile (PubChem CID 11244256) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile
PubChem CID11244256
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(Cc3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C21H15N3O/c22-14-16-8-11-19-20(12-16)24-21(23-19)13-15-6-9-18(10-7-15)25-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,24)
InChIKeyFCSAXAFSJHHBEE-UHFFFAOYSA-N
XLogP4.82
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile (CID 11244256) is 2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(Cc3ccc(Oc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile?
The InChIKey is FCSAXAFSJHHBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c22-14-16-8-11-19-20(12-16)24-21(23-19)13-15-6-9-18(10-7-15)25-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,24).
What are the key properties of 2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile?
2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile has a molecular weight of 325.37 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenoxyphenyl)methyl]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 11244256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).