amino-chloro-(1H-imidazol-5-yl)methanol

C4H6ClN3O — CID 174473785

IUPACamino-chloro-(1H-imidazol-5-yl)methanol
SMILESNC(O)(Cl)c1cnc[nH]1
InChIInChI=1S/C4H6ClN3O/c5-4(6,9)3-1-7-2-8-3/h1-2,9H,6H2,(H,7,8)
InChIKeyXLLFPRQIMFZUGP-UHFFFAOYSA-N
MW147.57 g/mol
LogP-0.29
Rot. Bonds1

About amino-chloro-(1H-imidazol-5-yl)methanol

amino-chloro-(1H-imidazol-5-yl)methanol (PubChem CID 174473785) has the molecular formula C4H6ClN3O and a molecular weight of 147.57 g/mol. Its IUPAC name is amino-chloro-(1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Nameamino-chloro-(1H-imidazol-5-yl)methanol
PubChem CID174473785
Molecular FormulaC4H6ClN3O
Molecular Weight147.57 g/mol
Exact Mass147.02
IUPAC Nameamino-chloro-(1H-imidazol-5-yl)methanol
SMILESNC(O)(Cl)c1cnc[nH]1
InChIInChI=1S/C4H6ClN3O/c5-4(6,9)3-1-7-2-8-3/h1-2,9H,6H2,(H,7,8)
InChIKeyXLLFPRQIMFZUGP-UHFFFAOYSA-N
XLogP-0.29
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.57
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze amino-chloro-(1H-imidazol-5-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

2,2-diamino-2-(1H-imidazol-5-yl)acetic acid
CID 145101043
5-(1,1-difluoroethyl)-1H-imidazole
CID 147887964
2-(1H-imidazol-5-yl)-3-methylbutan-2-ol
CID 101065670
potassium;5-tert-butyl-1H-imidazole;carbanide;methane
CID 162271210
5-(1,1-difluoro-2-methylpropyl)-1H-imidazole
CID 166858374
(2R)-2,5-diamino-2,3-bis(2-aminoacetyl)-3-(1H-imidazol-5-yl)-4-oxopentanoic acid
CID 141074977
2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide
CID 130626517
ethyl 2-(1H-imidazol-5-yl)-2-methylpropanoate;hydrochloride
CID 155858690
1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol
CID 121305500
N-propan-2-yl-1H-imidazol-5-amine
CID 57320471
bis(1H-imidazol-5-amine);sulfuric acid
CID 159489796
hydroxylamine;5-methyl-1H-imidazole
CID 142408820

Frequently Asked Questions

What is the IUPAC name of amino-chloro-(1H-imidazol-5-yl)methanol?
The IUPAC name of amino-chloro-(1H-imidazol-5-yl)methanol (CID 174473785) is amino-chloro-(1H-imidazol-5-yl)methanol.
What is the SMILES notation for amino-chloro-(1H-imidazol-5-yl)methanol?
The canonical SMILES for amino-chloro-(1H-imidazol-5-yl)methanol is NC(O)(Cl)c1cnc[nH]1.
What is the InChIKey of amino-chloro-(1H-imidazol-5-yl)methanol?
The InChIKey is XLLFPRQIMFZUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3O/c5-4(6,9)3-1-7-2-8-3/h1-2,9H,6H2,(H,7,8).
What are the key properties of amino-chloro-(1H-imidazol-5-yl)methanol?
amino-chloro-(1H-imidazol-5-yl)methanol has a molecular weight of 147.57 g/mol, XLogP of -0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-chloro-(1H-imidazol-5-yl)methanol is sourced from PubChem (CID 174473785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).