2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol

C15H19N3O — CID 115066191

IUPAC2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol
SMILESNCC1CCc2nc(Cc3ccccc3O)[nH]c2C1
InChIInChI=1S/C15H19N3O/c16-9-10-5-6-12-13(7-10)18-15(17-12)8-11-3-1-2-4-14(11)19/h1-4,10,19H,5-9,16H2,(H,17,18)
InChIKeyHHCCIRLJNGRDMX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.77
Rot. Bonds3

About 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol

2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol (PubChem CID 115066191) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol
PubChem CID115066191
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol
SMILESNCC1CCc2nc(Cc3ccccc3O)[nH]c2C1
InChIInChI=1S/C15H19N3O/c16-9-10-5-6-12-13(7-10)18-15(17-12)8-11-3-1-2-4-14(11)19/h1-4,10,19H,5-9,16H2,(H,17,18)
InChIKeyHHCCIRLJNGRDMX-UHFFFAOYSA-N
XLogP1.77
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol?
The IUPAC name of 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol (CID 115066191) is 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol.
What is the SMILES notation for 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol?
The canonical SMILES for 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol is NCC1CCc2nc(Cc3ccccc3O)[nH]c2C1.
What is the InChIKey of 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol?
The InChIKey is HHCCIRLJNGRDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-10-5-6-12-13(7-10)18-15(17-12)8-11-3-1-2-4-14(11)19/h1-4,10,19H,5-9,16H2,(H,17,18).
What are the key properties of 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol?
2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol has a molecular weight of 257.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol is sourced from PubChem (CID 115066191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).