(3-cyclopropyl-2-methylimidazol-4-yl)methanol

C8H12N2O — CID 164886218

IUPAC(3-cyclopropyl-2-methylimidazol-4-yl)methanol
SMILESCc1ncc(CO)n1C1CC1
InChIInChI=1S/C8H12N2O/c1-6-9-4-8(5-11)10(6)7-2-3-7/h4,7,11H,2-3,5H2,1H3
InChIKeySEMBGMYKHUTDEA-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.02
Rot. Bonds2

About (3-cyclopropyl-2-methylimidazol-4-yl)methanol

(3-cyclopropyl-2-methylimidazol-4-yl)methanol (PubChem CID 164886218) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (3-cyclopropyl-2-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropyl-2-methylimidazol-4-yl)methanol
PubChem CID164886218
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(3-cyclopropyl-2-methylimidazol-4-yl)methanol
SMILESCc1ncc(CO)n1C1CC1
InChIInChI=1S/C8H12N2O/c1-6-9-4-8(5-11)10(6)7-2-3-7/h4,7,11H,2-3,5H2,1H3
InChIKeySEMBGMYKHUTDEA-UHFFFAOYSA-N
XLogP1.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-2-methylimidazol-4-yl)methanol?
The IUPAC name of (3-cyclopropyl-2-methylimidazol-4-yl)methanol (CID 164886218) is (3-cyclopropyl-2-methylimidazol-4-yl)methanol.
What is the SMILES notation for (3-cyclopropyl-2-methylimidazol-4-yl)methanol?
The canonical SMILES for (3-cyclopropyl-2-methylimidazol-4-yl)methanol is Cc1ncc(CO)n1C1CC1.
What is the InChIKey of (3-cyclopropyl-2-methylimidazol-4-yl)methanol?
The InChIKey is SEMBGMYKHUTDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-9-4-8(5-11)10(6)7-2-3-7/h4,7,11H,2-3,5H2,1H3.
What are the key properties of (3-cyclopropyl-2-methylimidazol-4-yl)methanol?
(3-cyclopropyl-2-methylimidazol-4-yl)methanol has a molecular weight of 152.20 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-2-methylimidazol-4-yl)methanol is sourced from PubChem (CID 164886218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).