4-phenylmethoxy-1H-benzimidazole

C14H12N2O — CID 19820699

IUPAC4-phenylmethoxy-1H-benzimidazole
SMILESc1ccc(COc2cccc3[nH]cnc23)cc1
InChIInChI=1S/C14H12N2O/c1-2-5-11(6-3-1)9-17-13-8-4-7-12-14(13)16-10-15-12/h1-8,10H,9H2,(H,15,16)
InChIKeySMRNKUZWECPXHV-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.14
Rot. Bonds3

About 4-phenylmethoxy-1H-benzimidazole

4-phenylmethoxy-1H-benzimidazole (PubChem CID 19820699) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-phenylmethoxy-1H-benzimidazole.

Molecular Properties

Compound Name4-phenylmethoxy-1H-benzimidazole
PubChem CID19820699
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name4-phenylmethoxy-1H-benzimidazole
SMILESc1ccc(COc2cccc3[nH]cnc23)cc1
InChIInChI=1S/C14H12N2O/c1-2-5-11(6-3-1)9-17-13-8-4-7-12-14(13)16-10-15-12/h1-8,10H,9H2,(H,15,16)
InChIKeySMRNKUZWECPXHV-UHFFFAOYSA-N
XLogP3.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1H-benzimidazole?
The IUPAC name of 4-phenylmethoxy-1H-benzimidazole (CID 19820699) is 4-phenylmethoxy-1H-benzimidazole.
What is the SMILES notation for 4-phenylmethoxy-1H-benzimidazole?
The canonical SMILES for 4-phenylmethoxy-1H-benzimidazole is c1ccc(COc2cccc3[nH]cnc23)cc1.
What is the InChIKey of 4-phenylmethoxy-1H-benzimidazole?
The InChIKey is SMRNKUZWECPXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-5-11(6-3-1)9-17-13-8-4-7-12-14(13)16-10-15-12/h1-8,10H,9H2,(H,15,16).
What are the key properties of 4-phenylmethoxy-1H-benzimidazole?
4-phenylmethoxy-1H-benzimidazole has a molecular weight of 224.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1H-benzimidazole is sourced from PubChem (CID 19820699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).