1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol

C21H26N2O3 — CID 70197982

IUPAC1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol
SMILESCOCCc1c(OC)ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc12
InChIInChI=1S/C21H26N2O3/c1-14(2)21(24,20-12-22-13-23-20)16-6-7-17-15(11-16)5-8-19(26-4)18(17)9-10-25-3/h5-8,11-14,24H,9-10H2,1-4H3,(H,22,23)
InChIKeySCSJKMGBPOUQHN-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.65
Rot. Bonds7

About 1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol

1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol (PubChem CID 70197982) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol
PubChem CID70197982
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol
SMILESCOCCc1c(OC)ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc12
InChIInChI=1S/C21H26N2O3/c1-14(2)21(24,20-12-22-13-23-20)16-6-7-17-15(11-16)5-8-19(26-4)18(17)9-10-25-3/h5-8,11-14,24H,9-10H2,1-4H3,(H,22,23)
InChIKeySCSJKMGBPOUQHN-UHFFFAOYSA-N
XLogP3.65
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol (CID 70197982) is 1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol is COCCc1c(OC)ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc12.
What is the InChIKey of 1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol?
The InChIKey is SCSJKMGBPOUQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)21(24,20-12-22-13-23-20)16-6-7-17-15(11-16)5-8-19(26-4)18(17)9-10-25-3/h5-8,11-14,24H,9-10H2,1-4H3,(H,22,23).
What are the key properties of 1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol?
1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol has a molecular weight of 354.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 70197982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).