2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol

C9H15N3O — CID 83436593

IUPAC2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol
SMILESNC1CCc2nc(CCO)[nH]c2C1
InChIInChI=1S/C9H15N3O/c10-6-1-2-7-8(5-6)12-9(11-7)3-4-13/h6,13H,1-5,10H2,(H,11,12)
InChIKeyQAJMMAQHISXHMF-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.24
Rot. Bonds2

About 2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol

2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol (PubChem CID 83436593) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol
PubChem CID83436593
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol
SMILESNC1CCc2nc(CCO)[nH]c2C1
InChIInChI=1S/C9H15N3O/c10-6-1-2-7-8(5-6)12-9(11-7)3-4-13/h6,13H,1-5,10H2,(H,11,12)
InChIKeyQAJMMAQHISXHMF-UHFFFAOYSA-N
XLogP-0.24
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol
CID 115066165
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 115066207
2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 115003886
(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanol
CID 63926784
(5S)-2-(4,4-difluorocyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 124670008
N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 63927403
2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 103213726
6-ethyl-2-(propoxymethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 107944115
2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol
CID 115066191
(2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine
CID 82387272
N-methyl-1-(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
CID 63927583
2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine
CID 142941462

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of 2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol (CID 83436593) is 2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for 2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for 2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol is NC1CCc2nc(CCO)[nH]c2C1.
What is the InChIKey of 2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol?
The InChIKey is QAJMMAQHISXHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-6-1-2-7-8(5-6)12-9(11-7)3-4-13/h6,13H,1-5,10H2,(H,11,12).
What are the key properties of 2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol?
2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol has a molecular weight of 181.24 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 83436593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).