(2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone

C12H18N2O — CID 107186965

IUPAC(2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCCC1(C)C
InChIInChI=1S/C12H18N2O/c1-12(2)6-4-5-9(12)10(15)11-13-7-8-14(11)3/h7-9H,4-6H2,1-3H3
InChIKeyBLCHZKSIHIGAMJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.43
Rot. Bonds2

About (2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone

(2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 107186965) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
PubChem CID107186965
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCCC1(C)C
InChIInChI=1S/C12H18N2O/c1-12(2)6-4-5-9(12)10(15)11-13-7-8-14(11)3/h7-9H,4-6H2,1-3H3
InChIKeyBLCHZKSIHIGAMJ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 107186966
(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone
CID 60659997
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone
CID 171937463
[(3S,5R,8R,9R,10S,13S,14S,17S)-3,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]-(1-methylimidazol-2-yl)methanone
CID 163898397
(1-methoxycyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 104610183
(1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 114972980
[4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone
CID 116592298
(1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
CID 80690249
(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone
CID 116750447
7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone
CID 116575884
2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one
CID 114972982

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone (CID 107186965) is (2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)C1CCCC1(C)C.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is BLCHZKSIHIGAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2)6-4-5-9(12)10(15)11-13-7-8-14(11)3/h7-9H,4-6H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone?
(2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 206.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 107186965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).