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

C14H16N2O — CID 116516866

IUPAC(3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol
SMILESCn1cncc1C(O)C1CC1c1ccccc1
InChIInChI=1S/C14H16N2O/c1-16-9-15-8-13(16)14(17)12-7-11(12)10-5-3-2-4-6-10/h2-6,8-9,11-12,14,17H,7H2,1H3
InChIKeyCEKYBFLNQQIIGT-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.26
Rot. Bonds3

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

(3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol (PubChem CID 116516866) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol
PubChem CID116516866
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol
SMILESCn1cncc1C(O)C1CC1c1ccccc1
InChIInChI=1S/C14H16N2O/c1-16-9-15-8-13(16)14(17)12-7-11(12)10-5-3-2-4-6-10/h2-6,8-9,11-12,14,17H,7H2,1H3
InChIKeyCEKYBFLNQQIIGT-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methanol
CID 116517288
(2-methylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 116517226
1-(3-methylimidazol-4-yl)-2-phenylethanol
CID 66118824
(2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol
CID 115838733
(2-methyl-3-pyridinyl)-(2-phenylcyclopropyl)methanol
CID 105131922
N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63001278
3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol
CID 103027785
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol
CID 115813510
(2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol
CID 116517213
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
azepan-2-yl-(3-methylimidazol-4-yl)methanol
CID 66117137
(2,2-dimethylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 107005493

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol?
The IUPAC name of (3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol (CID 116516866) is (3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol.
What is the SMILES notation for (3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol?
The canonical SMILES for (3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol is Cn1cncc1C(O)C1CC1c1ccccc1.
What is the InChIKey of (3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol?
The InChIKey is CEKYBFLNQQIIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16-9-15-8-13(16)14(17)12-7-11(12)10-5-3-2-4-6-10/h2-6,8-9,11-12,14,17H,7H2,1H3.
What are the key properties of (3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol?
(3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol has a molecular weight of 228.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol is sourced from PubChem (CID 116516866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).