1-[(1-methylnaphthalen-2-yl)methyl]imidazole

C15H14N2 — CID 172812085

IUPAC1-[(1-methylnaphthalen-2-yl)methyl]imidazole
SMILESCc1c(Cn2ccnc2)ccc2ccccc12
InChIInChI=1S/C15H14N2/c1-12-14(10-17-9-8-16-11-17)7-6-13-4-2-3-5-15(12)13/h2-9,11H,10H2,1H3
InChIKeySHVHWESSXFHYCI-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.39
Rot. Bonds2

About 1-[(1-methylnaphthalen-2-yl)methyl]imidazole

1-[(1-methylnaphthalen-2-yl)methyl]imidazole (PubChem CID 172812085) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(1-methylnaphthalen-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(1-methylnaphthalen-2-yl)methyl]imidazole
PubChem CID172812085
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name1-[(1-methylnaphthalen-2-yl)methyl]imidazole
SMILESCc1c(Cn2ccnc2)ccc2ccccc12
InChIInChI=1S/C15H14N2/c1-12-14(10-17-9-8-16-11-17)7-6-13-4-2-3-5-15(12)13/h2-9,11H,10H2,1H3
InChIKeySHVHWESSXFHYCI-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylnaphthalen-2-yl)methyl]imidazole?
The IUPAC name of 1-[(1-methylnaphthalen-2-yl)methyl]imidazole (CID 172812085) is 1-[(1-methylnaphthalen-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(1-methylnaphthalen-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(1-methylnaphthalen-2-yl)methyl]imidazole is Cc1c(Cn2ccnc2)ccc2ccccc12.
What is the InChIKey of 1-[(1-methylnaphthalen-2-yl)methyl]imidazole?
The InChIKey is SHVHWESSXFHYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-12-14(10-17-9-8-16-11-17)7-6-13-4-2-3-5-15(12)13/h2-9,11H,10H2,1H3.
What are the key properties of 1-[(1-methylnaphthalen-2-yl)methyl]imidazole?
1-[(1-methylnaphthalen-2-yl)methyl]imidazole has a molecular weight of 222.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylnaphthalen-2-yl)methyl]imidazole is sourced from PubChem (CID 172812085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).