(3-methyl-2-propylimidazol-4-yl)-phenylmethanol

C14H18N2O — CID 3116449

IUPAC(3-methyl-2-propylimidazol-4-yl)-phenylmethanol
SMILESCCCc1ncc(C(O)c2ccccc2)n1C
InChIInChI=1S/C14H18N2O/c1-3-7-13-15-10-12(16(13)2)14(17)11-8-5-4-6-9-11/h4-6,8-10,14,17H,3,7H2,1-2H3
InChIKeyUMKXWQOTKYAUFE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.45
Rot. Bonds4

About (3-methyl-2-propylimidazol-4-yl)-phenylmethanol

(3-methyl-2-propylimidazol-4-yl)-phenylmethanol (PubChem CID 3116449) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3-methyl-2-propylimidazol-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(3-methyl-2-propylimidazol-4-yl)-phenylmethanol
PubChem CID3116449
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3-methyl-2-propylimidazol-4-yl)-phenylmethanol
SMILESCCCc1ncc(C(O)c2ccccc2)n1C
InChIInChI=1S/C14H18N2O/c1-3-7-13-15-10-12(16(13)2)14(17)11-8-5-4-6-9-11/h4-6,8-10,14,17H,3,7H2,1-2H3
InChIKeyUMKXWQOTKYAUFE-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-propylimidazol-4-yl)-phenylmethanol?
The IUPAC name of (3-methyl-2-propylimidazol-4-yl)-phenylmethanol (CID 3116449) is (3-methyl-2-propylimidazol-4-yl)-phenylmethanol.
What is the SMILES notation for (3-methyl-2-propylimidazol-4-yl)-phenylmethanol?
The canonical SMILES for (3-methyl-2-propylimidazol-4-yl)-phenylmethanol is CCCc1ncc(C(O)c2ccccc2)n1C.
What is the InChIKey of (3-methyl-2-propylimidazol-4-yl)-phenylmethanol?
The InChIKey is UMKXWQOTKYAUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-7-13-15-10-12(16(13)2)14(17)11-8-5-4-6-9-11/h4-6,8-10,14,17H,3,7H2,1-2H3.
What are the key properties of (3-methyl-2-propylimidazol-4-yl)-phenylmethanol?
(3-methyl-2-propylimidazol-4-yl)-phenylmethanol has a molecular weight of 230.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-propylimidazol-4-yl)-phenylmethanol is sourced from PubChem (CID 3116449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).