bis(1-methylimidazol-2-yl)methanol

C9H12N4O — CID 1238022

IUPACbis(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1nccn1C
InChIInChI=1S/C9H12N4O/c1-12-5-3-10-8(12)7(14)9-11-4-6-13(9)2/h3-7,14H,1-2H3
InChIKeyMPTVWEGTOFFKKJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.24
Rot. Bonds2

About bis(1-methylimidazol-2-yl)methanol

bis(1-methylimidazol-2-yl)methanol (PubChem CID 1238022) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is bis(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Namebis(1-methylimidazol-2-yl)methanol
PubChem CID1238022
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Namebis(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1nccn1C
InChIInChI=1S/C9H12N4O/c1-12-5-3-10-8(12)7(14)9-11-4-6-13(9)2/h3-7,14H,1-2H3
InChIKeyMPTVWEGTOFFKKJ-UHFFFAOYSA-N
XLogP0.24
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(1-methylimidazol-2-yl)methanol?
The IUPAC name of bis(1-methylimidazol-2-yl)methanol (CID 1238022) is bis(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for bis(1-methylimidazol-2-yl)methanol?
The canonical SMILES for bis(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)c1nccn1C.
What is the InChIKey of bis(1-methylimidazol-2-yl)methanol?
The InChIKey is MPTVWEGTOFFKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-12-5-3-10-8(12)7(14)9-11-4-6-13(9)2/h3-7,14H,1-2H3.
What are the key properties of bis(1-methylimidazol-2-yl)methanol?
bis(1-methylimidazol-2-yl)methanol has a molecular weight of 192.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 1238022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).