phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol

C21H18N2O2 — CID 13162241

IUPACphenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol
SMILESOC(c1ccccc1)c1nc2c(OCc3ccccc3)cccc2[nH]1
InChIInChI=1S/C21H18N2O2/c24-20(16-10-5-2-6-11-16)21-22-17-12-7-13-18(19(17)23-21)25-14-15-8-3-1-4-9-15/h1-13,20,24H,14H2,(H,22,23)
InChIKeyPWLRFINFTUPKAR-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.22
Rot. Bonds5

About phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol

phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol (PubChem CID 13162241) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol.

Molecular Properties

Compound Namephenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol
PubChem CID13162241
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Namephenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol
SMILESOC(c1ccccc1)c1nc2c(OCc3ccccc3)cccc2[nH]1
InChIInChI=1S/C21H18N2O2/c24-20(16-10-5-2-6-11-16)21-22-17-12-7-13-18(19(17)23-21)25-14-15-8-3-1-4-9-15/h1-13,20,24H,14H2,(H,22,23)
InChIKeyPWLRFINFTUPKAR-UHFFFAOYSA-N
XLogP4.22
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol?
The IUPAC name of phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol (CID 13162241) is phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol.
What is the SMILES notation for phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol?
The canonical SMILES for phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol is OC(c1ccccc1)c1nc2c(OCc3ccccc3)cccc2[nH]1.
What is the InChIKey of phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol?
The InChIKey is PWLRFINFTUPKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-20(16-10-5-2-6-11-16)21-22-17-12-7-13-18(19(17)23-21)25-14-15-8-3-1-4-9-15/h1-13,20,24H,14H2,(H,22,23).
What are the key properties of phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol?
phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol has a molecular weight of 330.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol is sourced from PubChem (CID 13162241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).