methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol

C10H13N3O — CID 116954709

IUPACmethylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
SMILESCNC(O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C10H13N3O/c1-6-12-8-4-3-7(10(14)11-2)5-9(8)13-6/h3-5,10-11,14H,1-2H3,(H,12,13)
InChIKeyKFZLLSUFEAGKCJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.08
Rot. Bonds2

About methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol

methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol (PubChem CID 116954709) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol.

Molecular Properties

Compound Namemethylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
PubChem CID116954709
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Namemethylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
SMILESCNC(O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C10H13N3O/c1-6-12-8-4-3-7(10(14)11-2)5-9(8)13-6/h3-5,10-11,14H,1-2H3,(H,12,13)
InChIKeyKFZLLSUFEAGKCJ-UHFFFAOYSA-N
XLogP1.08
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116961533
2-(methylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116961662
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494
4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
CID 116936897
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116850693
1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol
CID 116831151
ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 117340177
3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide
CID 116849707
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203

Frequently Asked Questions

What is the IUPAC name of methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol?
The IUPAC name of methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol (CID 116954709) is methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol.
What is the SMILES notation for methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol?
The canonical SMILES for methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol is CNC(O)c1ccc2nc(C)[nH]c2c1.
What is the InChIKey of methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol?
The InChIKey is KFZLLSUFEAGKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6-12-8-4-3-7(10(14)11-2)5-9(8)13-6/h3-5,10-11,14H,1-2H3,(H,12,13).
What are the key properties of methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol?
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol has a molecular weight of 191.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol is sourced from PubChem (CID 116954709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).