(3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol

C18H20N2O — CID 619964

IUPAC(3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol
SMILESCCCc1ncc(C(O)c2cccc3ccccc23)n1C
InChIInChI=1S/C18H20N2O/c1-3-7-17-19-12-16(20(17)2)18(21)15-11-6-9-13-8-4-5-10-14(13)15/h4-6,8-12,18,21H,3,7H2,1-2H3
InChIKeyRMDUQNUQMHVRKQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.61
Rot. Bonds4

About (3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol

(3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol (PubChem CID 619964) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol
PubChem CID619964
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol
SMILESCCCc1ncc(C(O)c2cccc3ccccc23)n1C
InChIInChI=1S/C18H20N2O/c1-3-7-17-19-12-16(20(17)2)18(21)15-11-6-9-13-8-4-5-10-14(13)15/h4-6,8-12,18,21H,3,7H2,1-2H3
InChIKeyRMDUQNUQMHVRKQ-UHFFFAOYSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.61
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)-naphthalen-1-ylmethanol?
The IUPAC name of (3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol (CID 619964) is (3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol?
The canonical SMILES for (3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol is CCCc1ncc(C(O)c2cccc3ccccc23)n1C.
What is the InChIKey of (3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol?
The InChIKey is RMDUQNUQMHVRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-7-17-19-12-16(20(17)2)18(21)15-11-6-9-13-8-4-5-10-14(13)15/h4-6,8-12,18,21H,3,7H2,1-2H3.
What are the key properties of (3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol?
(3-methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol has a molecular weight of 280.37 g/mol, XLogP of 3.61, 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)-naphthalen-1-ylmethanol is sourced from PubChem (CID 619964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).