1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole

C10H14F2N2 — CID 131020982

IUPAC1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole
SMILESCc1nccn1CC1CCCC1(F)F
InChIInChI=1S/C10H14F2N2/c1-8-13-5-6-14(8)7-9-3-2-4-10(9,11)12/h5-6,9H,2-4,7H2,1H3
InChIKeyLPCUHKCHCHOSEX-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.63
Rot. Bonds2

About 1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole

1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole (PubChem CID 131020982) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole
PubChem CID131020982
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole
SMILESCc1nccn1CC1CCCC1(F)F
InChIInChI=1S/C10H14F2N2/c1-8-13-5-6-14(8)7-9-3-2-4-10(9,11)12/h5-6,9H,2-4,7H2,1H3
InChIKeyLPCUHKCHCHOSEX-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(1R)-3,3-difluorocyclopentyl]butyl]-2-methylimidazole
CID 67539225
1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79571759
2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79571334
1-(azetidin-3-ylmethyl)-2-methylimidazole
CID 91812453
1-cyclopentyl-2-(2-methylimidazol-1-yl)ethanone
CID 115919041
2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine
CID 167299183
(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbaldehyde
CID 142002069
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
CID 115654607
1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 84657338
N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494748
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120504283
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine
CID 79871377

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole?
The IUPAC name of 1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole (CID 131020982) is 1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole.
What is the SMILES notation for 1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole?
The canonical SMILES for 1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole is Cc1nccn1CC1CCCC1(F)F.
What is the InChIKey of 1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole?
The InChIKey is LPCUHKCHCHOSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-8-13-5-6-14(8)7-9-3-2-4-10(9,11)12/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole?
1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole has a molecular weight of 200.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole is sourced from PubChem (CID 131020982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).