2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol

C10H12ClN3O — CID 83892414

IUPAC2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol
SMILESCc1nc2cc(Cl)c(C(N)CO)cc2[nH]1
InChIInChI=1S/C10H12ClN3O/c1-5-13-9-2-6(8(12)4-15)7(11)3-10(9)14-5/h2-3,8,15H,4,12H2,1H3,(H,13,14)
InChIKeyOYWGGHMQMYXRKD-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol

2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol (PubChem CID 83892414) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol
PubChem CID83892414
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol
SMILESCc1nc2cc(Cl)c(C(N)CO)cc2[nH]1
InChIInChI=1S/C10H12ClN3O/c1-5-13-9-2-6(8(12)4-15)7(11)3-10(9)14-5/h2-3,8,15H,4,12H2,1H3,(H,13,14)
InChIKeyOYWGGHMQMYXRKD-UHFFFAOYSA-N
XLogP1.52
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)ethanol
CID 83892730
6-chloro-5-iodo-2-methyl-1H-benzimidazole
CID 152925781
(6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine
CID 149051203
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053
2-amino-2-(5-bromo-2-chloro-4-fluorophenyl)ethanol
CID 84712247
6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde
CID 10081355
2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol
CID 83892709
(1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 94673305
1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 82184476
2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol
CID 55272427
6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 77129959
3-amino-3-(2-methyl-3H-benzimidazol-5-yl)propane-1-thiol
CID 116831290

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol?
The IUPAC name of 2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol (CID 83892414) is 2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol is Cc1nc2cc(Cl)c(C(N)CO)cc2[nH]1.
What is the InChIKey of 2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol?
The InChIKey is OYWGGHMQMYXRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-5-13-9-2-6(8(12)4-15)7(11)3-10(9)14-5/h2-3,8,15H,4,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol?
2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol has a molecular weight of 225.68 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol is sourced from PubChem (CID 83892414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).