2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol

C18H19N3O — CID 797345

IUPAC2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol
SMILESCC(C)(C)n1cnc2cc(/N=C/c3ccccc3O)ccc21
InChIInChI=1S/C18H19N3O/c1-18(2,3)21-12-20-15-10-14(8-9-16(15)21)19-11-13-6-4-5-7-17(13)22/h4-12,22H,1-3H3/b19-11+
InChIKeyLHQOFCQXNTUWBE-YBFXNURJSA-N
MW293.37 g/mol
LogP4.25
Rot. Bonds2

About 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol

2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol (PubChem CID 797345) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol
PubChem CID797345
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol
SMILESCC(C)(C)n1cnc2cc(/N=C/c3ccccc3O)ccc21
InChIInChI=1S/C18H19N3O/c1-18(2,3)21-12-20-15-10-14(8-9-16(15)21)19-11-13-6-4-5-7-17(13)22/h4-12,22H,1-3H3/b19-11+
InChIKeyLHQOFCQXNTUWBE-YBFXNURJSA-N
XLogP4.25
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol?
The IUPAC name of 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol (CID 797345) is 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol is CC(C)(C)n1cnc2cc(/N=C/c3ccccc3O)ccc21.
What is the InChIKey of 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol?
The InChIKey is LHQOFCQXNTUWBE-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2,3)21-12-20-15-10-14(8-9-16(15)21)19-11-13-6-4-5-7-17(13)22/h4-12,22H,1-3H3/b19-11+.
What are the key properties of 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol?
2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol has a molecular weight of 293.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol is sourced from PubChem (CID 797345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).