2-[(1-propylbenzimidazol-2-yl)methylamino]phenol

C17H19N3O — CID 760357

IUPAC2-[(1-propylbenzimidazol-2-yl)methylamino]phenol
SMILESCCCn1c(CNc2ccccc2O)nc2ccccc21
InChIInChI=1S/C17H19N3O/c1-2-11-20-15-9-5-3-7-13(15)19-17(20)12-18-14-8-4-6-10-16(14)21/h3-10,18,21H,2,11-12H2,1H3
InChIKeyORCLWERNIDQHJQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds5

About 2-[(1-propylbenzimidazol-2-yl)methylamino]phenol

2-[(1-propylbenzimidazol-2-yl)methylamino]phenol (PubChem CID 760357) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(1-propylbenzimidazol-2-yl)methylamino]phenol.

Molecular Properties

Compound Name2-[(1-propylbenzimidazol-2-yl)methylamino]phenol
PubChem CID760357
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[(1-propylbenzimidazol-2-yl)methylamino]phenol
SMILESCCCn1c(CNc2ccccc2O)nc2ccccc21
InChIInChI=1S/C17H19N3O/c1-2-11-20-15-9-5-3-7-13(15)19-17(20)12-18-14-8-4-6-10-16(14)21/h3-10,18,21H,2,11-12H2,1H3
InChIKeyORCLWERNIDQHJQ-UHFFFAOYSA-N
XLogP3.76
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propylbenzimidazol-2-yl)methylamino]phenol?
The IUPAC name of 2-[(1-propylbenzimidazol-2-yl)methylamino]phenol (CID 760357) is 2-[(1-propylbenzimidazol-2-yl)methylamino]phenol.
What is the SMILES notation for 2-[(1-propylbenzimidazol-2-yl)methylamino]phenol?
The canonical SMILES for 2-[(1-propylbenzimidazol-2-yl)methylamino]phenol is CCCn1c(CNc2ccccc2O)nc2ccccc21.
What is the InChIKey of 2-[(1-propylbenzimidazol-2-yl)methylamino]phenol?
The InChIKey is ORCLWERNIDQHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-11-20-15-9-5-3-7-13(15)19-17(20)12-18-14-8-4-6-10-16(14)21/h3-10,18,21H,2,11-12H2,1H3.
What are the key properties of 2-[(1-propylbenzimidazol-2-yl)methylamino]phenol?
2-[(1-propylbenzimidazol-2-yl)methylamino]phenol has a molecular weight of 281.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propylbenzimidazol-2-yl)methylamino]phenol is sourced from PubChem (CID 760357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).