1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol

C14H16N2O — CID 79743743

IUPAC1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCn1ccnc1CC1(O)CCc2ccccc21
InChIInChI=1S/C14H16N2O/c1-16-9-8-15-13(16)10-14(17)7-6-11-4-2-3-5-12(11)14/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyFMQHJPYZSDOXOT-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.80
Rot. Bonds2

About 1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol

1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 79743743) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
PubChem CID79743743
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCn1ccnc1CC1(O)CCc2ccccc21
InChIInChI=1S/C14H16N2O/c1-16-9-8-15-13(16)10-14(17)7-6-11-4-2-3-5-12(11)14/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyFMQHJPYZSDOXOT-UHFFFAOYSA-N
XLogP1.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
CID 79743744
5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
CID 116531621
2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 114529366
5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 82870193
2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol
CID 64785216
1-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111110415
3-[(1-methylimidazol-2-yl)methyl]thiolan-3-ol
CID 79949548
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110013076
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916
2-[2-(1-methylimidazol-2-yl)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 114532607

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol (CID 79743743) is 1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol is Cn1ccnc1CC1(O)CCc2ccccc21.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is FMQHJPYZSDOXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16-9-8-15-13(16)10-14(17)7-6-11-4-2-3-5-12(11)14/h2-5,8-9,17H,6-7,10H2,1H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol?
1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 228.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79743743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).