(5-azido-1-methylbenzimidazol-2-yl)methanol

C9H9N5O — CID 152615576

IUPAC(5-azido-1-methylbenzimidazol-2-yl)methanol
SMILESCn1c(CO)nc2cc(N=[N+]=[N-])ccc21
InChIInChI=1S/C9H9N5O/c1-14-8-3-2-6(12-13-10)4-7(8)11-9(14)5-15/h2-4,15H,5H2,1H3
InChIKeyZAKVZAFFTHZTTA-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.01
Rot. Bonds2

About (5-azido-1-methylbenzimidazol-2-yl)methanol

(5-azido-1-methylbenzimidazol-2-yl)methanol (PubChem CID 152615576) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is (5-azido-1-methylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(5-azido-1-methylbenzimidazol-2-yl)methanol
PubChem CID152615576
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Name(5-azido-1-methylbenzimidazol-2-yl)methanol
SMILESCn1c(CO)nc2cc(N=[N+]=[N-])ccc21
InChIInChI=1S/C9H9N5O/c1-14-8-3-2-6(12-13-10)4-7(8)11-9(14)5-15/h2-4,15H,5H2,1H3
InChIKeyZAKVZAFFTHZTTA-UHFFFAOYSA-N
XLogP2.01
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (5-azido-1-methylbenzimidazol-2-yl)methanol 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

2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084
N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide
CID 168650786
2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol
CID 750368
2-ethyl-5-isocyanato-1-methylbenzimidazole
CID 169353178
2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]amino]ethene-1,1,2-tricarbonitrile
CID 168607058
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
[5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol
CID 159917142
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone
CID 138016864
6-azidoquinoxaline;hydrofluoride
CID 167560280
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099
[4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone
CID 166259592
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488

Frequently Asked Questions

What is the IUPAC name of (5-azido-1-methylbenzimidazol-2-yl)methanol?
The IUPAC name of (5-azido-1-methylbenzimidazol-2-yl)methanol (CID 152615576) is (5-azido-1-methylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (5-azido-1-methylbenzimidazol-2-yl)methanol?
The canonical SMILES for (5-azido-1-methylbenzimidazol-2-yl)methanol is Cn1c(CO)nc2cc(N=[N+]=[N-])ccc21.
What is the InChIKey of (5-azido-1-methylbenzimidazol-2-yl)methanol?
The InChIKey is ZAKVZAFFTHZTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-14-8-3-2-6(12-13-10)4-7(8)11-9(14)5-15/h2-4,15H,5H2,1H3.
What are the key properties of (5-azido-1-methylbenzimidazol-2-yl)methanol?
(5-azido-1-methylbenzimidazol-2-yl)methanol has a molecular weight of 203.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-azido-1-methylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 152615576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).