2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one

C12H18N2O — CID 79761423

IUPAC2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one
SMILESCn1ccnc1CC1CCCCCC1=O
InChIInChI=1S/C12H18N2O/c1-14-8-7-13-12(14)9-10-5-3-2-4-6-11(10)15/h7-8,10H,2-6,9H2,1H3
InChIKeyPSWSNQJJVDKMPO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.11
Rot. Bonds2

About 2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one

2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one (PubChem CID 79761423) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one
PubChem CID79761423
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one
SMILESCn1ccnc1CC1CCCCCC1=O
InChIInChI=1S/C12H18N2O/c1-14-8-7-13-12(14)9-10-5-3-2-4-6-11(10)15/h7-8,10H,2-6,9H2,1H3
InChIKeyPSWSNQJJVDKMPO-UHFFFAOYSA-N
XLogP2.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 115580373
1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
CID 71298900
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135
2-[(1-methylimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208787
[1-cycloheptyl-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105340281
2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one
CID 79750868
1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79752510
3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one
CID 63296054
3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
CID 62939564

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one (CID 79761423) is 2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one is Cn1ccnc1CC1CCCCCC1=O.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one?
The InChIKey is PSWSNQJJVDKMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-8-7-13-12(14)9-10-5-3-2-4-6-11(10)15/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one?
2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one has a molecular weight of 206.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one is sourced from PubChem (CID 79761423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).