amino-(1,2-dimethylbenzimidazol-5-yl)methanol

C10H13N3O — CID 116939675

IUPACamino-(1,2-dimethylbenzimidazol-5-yl)methanol
SMILESCc1nc2cc(C(N)O)ccc2n1C
InChIInChI=1S/C10H13N3O/c1-6-12-8-5-7(10(11)14)3-4-9(8)13(6)2/h3-5,10,14H,11H2,1-2H3
InChIKeyDCLDLCUBPHKVGW-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.83
Rot. Bonds1

About amino-(1,2-dimethylbenzimidazol-5-yl)methanol

amino-(1,2-dimethylbenzimidazol-5-yl)methanol (PubChem CID 116939675) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is amino-(1,2-dimethylbenzimidazol-5-yl)methanol.

Molecular Properties

Compound Nameamino-(1,2-dimethylbenzimidazol-5-yl)methanol
PubChem CID116939675
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Nameamino-(1,2-dimethylbenzimidazol-5-yl)methanol
SMILESCc1nc2cc(C(N)O)ccc2n1C
InChIInChI=1S/C10H13N3O/c1-6-12-8-5-7(10(11)14)3-4-9(8)13(6)2/h3-5,10,14H,11H2,1-2H3
InChIKeyDCLDLCUBPHKVGW-UHFFFAOYSA-N
XLogP0.83
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
CID 82493454
2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide
CID 116850441
3-amino-3-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 116938084
1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948132
(1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine
CID 91873506
1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945795
2-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938647
3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol
CID 116952870
1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile
CID 116943729
[3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine
CID 116944982
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961257
1,2-dimethylbenzimidazole-5-thiol
CID 83529809

Frequently Asked Questions

What is the IUPAC name of amino-(1,2-dimethylbenzimidazol-5-yl)methanol?
The IUPAC name of amino-(1,2-dimethylbenzimidazol-5-yl)methanol (CID 116939675) is amino-(1,2-dimethylbenzimidazol-5-yl)methanol.
What is the SMILES notation for amino-(1,2-dimethylbenzimidazol-5-yl)methanol?
The canonical SMILES for amino-(1,2-dimethylbenzimidazol-5-yl)methanol is Cc1nc2cc(C(N)O)ccc2n1C.
What is the InChIKey of amino-(1,2-dimethylbenzimidazol-5-yl)methanol?
The InChIKey is DCLDLCUBPHKVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6-12-8-5-7(10(11)14)3-4-9(8)13(6)2/h3-5,10,14H,11H2,1-2H3.
What are the key properties of amino-(1,2-dimethylbenzimidazol-5-yl)methanol?
amino-(1,2-dimethylbenzimidazol-5-yl)methanol has a molecular weight of 191.23 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(1,2-dimethylbenzimidazol-5-yl)methanol is sourced from PubChem (CID 116939675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).