5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol

C14H15ClN2O2 — CID 107684731

IUPAC5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCn1c(Cl)cnc1COc1ccc2c(c1)CCC2O
InChIInChI=1S/C14H15ClN2O2/c1-17-13(15)7-16-14(17)8-19-10-3-4-11-9(6-10)2-5-12(11)18/h3-4,6-7,12,18H,2,5,8H2,1H3
InChIKeyPKRITJKCSWCKHZ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.63
Rot. Bonds3

About 5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol

5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684731) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID107684731
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCn1c(Cl)cnc1COc1ccc2c(c1)CCC2O
InChIInChI=1S/C14H15ClN2O2/c1-17-13(15)7-16-14(17)8-19-10-3-4-11-9(6-10)2-5-12(11)18/h3-4,6-7,12,18H,2,5,8H2,1H3
InChIKeyPKRITJKCSWCKHZ-UHFFFAOYSA-N
XLogP2.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (CID 107684731) is 5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is Cn1c(Cl)cnc1COc1ccc2c(c1)CCC2O.
What is the InChIKey of 5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is PKRITJKCSWCKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-17-13(15)7-16-14(17)8-19-10-3-4-11-9(6-10)2-5-12(11)18/h3-4,6-7,12,18H,2,5,8H2,1H3.
What are the key properties of 5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 278.74 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).