4-[(2-butylbenzimidazol-1-yl)methyl]phenol

C18H20N2O — CID 15288898

IUPAC4-[(2-butylbenzimidazol-1-yl)methyl]phenol
SMILESCCCCc1nc2ccccc2n1Cc1ccc(O)cc1
InChIInChI=1S/C18H20N2O/c1-2-3-8-18-19-16-6-4-5-7-17(16)20(18)13-14-9-11-15(21)12-10-14/h4-7,9-12,21H,2-3,8,13H2,1H3
InChIKeySSRIUMAFZMGUFE-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.13
Rot. Bonds5

About 4-[(2-butylbenzimidazol-1-yl)methyl]phenol

4-[(2-butylbenzimidazol-1-yl)methyl]phenol (PubChem CID 15288898) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[(2-butylbenzimidazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-butylbenzimidazol-1-yl)methyl]phenol
PubChem CID15288898
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-[(2-butylbenzimidazol-1-yl)methyl]phenol
SMILESCCCCc1nc2ccccc2n1Cc1ccc(O)cc1
InChIInChI=1S/C18H20N2O/c1-2-3-8-18-19-16-6-4-5-7-17(16)20(18)13-14-9-11-15(21)12-10-14/h4-7,9-12,21H,2-3,8,13H2,1H3
InChIKeySSRIUMAFZMGUFE-UHFFFAOYSA-N
XLogP4.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-butylbenzimidazol-1-yl)methyl]phenol?
The IUPAC name of 4-[(2-butylbenzimidazol-1-yl)methyl]phenol (CID 15288898) is 4-[(2-butylbenzimidazol-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-butylbenzimidazol-1-yl)methyl]phenol?
The canonical SMILES for 4-[(2-butylbenzimidazol-1-yl)methyl]phenol is CCCCc1nc2ccccc2n1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2-butylbenzimidazol-1-yl)methyl]phenol?
The InChIKey is SSRIUMAFZMGUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-3-8-18-19-16-6-4-5-7-17(16)20(18)13-14-9-11-15(21)12-10-14/h4-7,9-12,21H,2-3,8,13H2,1H3.
What are the key properties of 4-[(2-butylbenzimidazol-1-yl)methyl]phenol?
4-[(2-butylbenzimidazol-1-yl)methyl]phenol has a molecular weight of 280.37 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butylbenzimidazol-1-yl)methyl]phenol is sourced from PubChem (CID 15288898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).