methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol

C9H16N2O — CID 158443193

IUPACmethane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol
SMILESC.C.Cc1ncc(C#CCO)[nH]1
InChIInChI=1S/C7H8N2O.2CH4/c1-6-8-5-7(9-6)3-2-4-10;;/h5,10H,4H2,1H3,(H,8,9);2*1H4
InChIKeyHDBLLONTAAVWKQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.33
Rot. Bonds

About methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol

methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol (PubChem CID 158443193) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Namemethane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol
PubChem CID158443193
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Namemethane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol
SMILESC.C.Cc1ncc(C#CCO)[nH]1
InChIInChI=1S/C7H8N2O.2CH4/c1-6-8-5-7(9-6)3-2-4-10;;/h5,10H,4H2,1H3,(H,8,9);2*1H4
InChIKeyHDBLLONTAAVWKQ-UHFFFAOYSA-N
XLogP1.33
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-methyl-1H-imidazol-5-yl)but-3-ynamide
CID 170472428
3-(5-methyl-1H-pyrazol-4-yl)prop-2-yn-1-ol
CID 169484630
5-but-1-ynyl-2-iodo-1H-imidazole
CID 90201451
2-methyl-5-prop-2-ynyl-1H-imidazole
CID 59481541
3-(2-chloro-4-methyl-3-pyridinyl)prop-2-yn-1-ol
CID 169484802
3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol
CID 169484738
3-(2-methylphenyl)prop-2-yn-1-ol
CID 45156701
3-(3-methyl-5-nitro-2-pyridinyl)prop-2-yn-1-ol
CID 169485280
ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 142610234
3-(2-chloro-4-pyridinyl)prop-2-yn-1-ol
CID 169484666
ethanol;2-methyl-5-nitro-1H-imidazole
CID 22023722
3-(2-chloro-6-methyl-3-pyridinyl)prop-2-yn-1-ol
CID 169484803

Frequently Asked Questions

What is the IUPAC name of methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol?
The IUPAC name of methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol (CID 158443193) is methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol.
What is the SMILES notation for methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol?
The canonical SMILES for methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol is C.C.Cc1ncc(C#CCO)[nH]1.
What is the InChIKey of methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol?
The InChIKey is HDBLLONTAAVWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.2CH4/c1-6-8-5-7(9-6)3-2-4-10;;/h5,10H,4H2,1H3,(H,8,9);2*1H4.
What are the key properties of methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol?
methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol is sourced from PubChem (CID 158443193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).