2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol

C11H15N3O — CID 82332966

IUPAC2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
SMILESCc1ccc2c(c1)nc(CN)n2CCO
InChIInChI=1S/C11H15N3O/c1-8-2-3-10-9(6-8)13-11(7-12)14(10)4-5-15/h2-3,6,15H,4-5,7,12H2,1H3
InChIKeyKKLJGJVOLNTLDD-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.80
Rot. Bonds3

About 2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol

2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol (PubChem CID 82332966) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
PubChem CID82332966
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
SMILESCc1ccc2c(c1)nc(CN)n2CCO
InChIInChI=1S/C11H15N3O/c1-8-2-3-10-9(6-8)13-11(7-12)14(10)4-5-15/h2-3,6,15H,4-5,7,12H2,1H3
InChIKeyKKLJGJVOLNTLDD-UHFFFAOYSA-N
XLogP0.80
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(aminomethyl)-5-methylbenzimidazol-1-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-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82332974
2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82311668
[1-[2-(dimethylamino)ethyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333285
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine
CID 171338197
[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333288
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311837
3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308496
(1-ethyl-6-methylbenzimidazol-2-yl)methanamine
CID 123207150

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol (CID 82332966) is 2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol is Cc1ccc2c(c1)nc(CN)n2CCO.
What is the InChIKey of 2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol?
The InChIKey is KKLJGJVOLNTLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-2-3-10-9(6-8)13-11(7-12)14(10)4-5-15/h2-3,6,15H,4-5,7,12H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol?
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol has a molecular weight of 205.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol is sourced from PubChem (CID 82332966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).