methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine

C11H17N3O — CID 143560224

IUPACmethanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCO.Cc1ccc2nc([C@H](C)N)[nH]c2c1
InChIInChI=1S/C10H13N3.CH4O/c1-6-3-4-8-9(5-6)13-10(12-8)7(2)11;1-2/h3-5,7H,11H2,1-2H3,(H,12,13);2H,1H3/t7-;/m0./s1
InChIKeyCYXMSYWYAQKZNC-FJXQXJEOSA-N
MW207.28 g/mol
LogP1.50
Rot. Bonds1

About methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine

methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine (PubChem CID 143560224) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Namemethanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
PubChem CID143560224
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Namemethanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCO.Cc1ccc2nc([C@H](C)N)[nH]c2c1
InChIInChI=1S/C10H13N3.CH4O/c1-6-3-4-8-9(5-6)13-10(12-8)7(2)11;1-2/h3-5,7H,11H2,1-2H3,(H,12,13);2H,1H3/t7-;/m0./s1
InChIKeyCYXMSYWYAQKZNC-FJXQXJEOSA-N
XLogP1.50
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminoethyl]-3H-benzimidazol-5-ol
CID 69314900
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
CID 23453418
(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 66734805
1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine
CID 82331925
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 69314916
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 161165676
2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
CID 143794586
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 102488846

Frequently Asked Questions

What is the IUPAC name of methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine (CID 143560224) is methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine is CO.Cc1ccc2nc([C@H](C)N)[nH]c2c1.
What is the InChIKey of methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is CYXMSYWYAQKZNC-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H13N3.CH4O/c1-6-3-4-8-9(5-6)13-10(12-8)7(2)11;1-2/h3-5,7H,11H2,1-2H3,(H,12,13);2H,1H3/t7-;/m0./s1.
What are the key properties of methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine?
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 143560224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).