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

C15H18N2O — CID 79743744

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCCn1ccnc1CC1(O)CCc2ccccc21
InChIInChI=1S/C15H18N2O/c1-2-17-10-9-16-14(17)11-15(18)8-7-12-5-3-4-6-13(12)15/h3-6,9-10,18H,2,7-8,11H2,1H3
InChIKeyMPWDBTZCRXMGEQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.28
Rot. Bonds3

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

1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 79743744) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
PubChem CID79743744
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCCn1ccnc1CC1(O)CCc2ccccc21
InChIInChI=1S/C15H18N2O/c1-2-17-10-9-16-14(17)11-15(18)8-7-12-5-3-4-6-13(12)15/h3-6,9-10,18H,2,7-8,11H2,1H3
InChIKeyMPWDBTZCRXMGEQ-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
CID 79743743
2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 79744347
1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol
CID 79744305
1-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-ol
CID 79734846
3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol
CID 79744249
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol
CID 64785216
5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
CID 116531621
1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79744950
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79752863
3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one
CID 116538582
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol (CID 79743744) is 1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol is CCn1ccnc1CC1(O)CCc2ccccc21.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is MPWDBTZCRXMGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-17-10-9-16-14(17)11-15(18)8-7-12-5-3-4-6-13(12)15/h3-6,9-10,18H,2,7-8,11H2,1H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol?
1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 242.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79743744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).