1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole

C14H22F2N2 — CID 151280967

IUPAC1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole
SMILESCc1cn(CC2CCC(F)(F)CC2)c(C(C)C)n1
InChIInChI=1S/C14H22F2N2/c1-10(2)13-17-11(3)8-18(13)9-12-4-6-14(15,16)7-5-12/h8,10,12H,4-7,9H2,1-3H3
InChIKeyNYJBEADVRUQFRA-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.14
Rot. Bonds3

About 1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole

1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole (PubChem CID 151280967) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole
PubChem CID151280967
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole
SMILESCc1cn(CC2CCC(F)(F)CC2)c(C(C)C)n1
InChIInChI=1S/C14H22F2N2/c1-10(2)13-17-11(3)8-18(13)9-12-4-6-14(15,16)7-5-12/h8,10,12H,4-7,9H2,1-3H3
InChIKeyNYJBEADVRUQFRA-UHFFFAOYSA-N
XLogP4.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 124710767
(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 124710768
2-(2-Cyclohexyl-1-methylimidazol-4-yl)ethanamine
CID 44292153
2-(2-Cyclobutyl-5-methyl-1H-imidazol-1-YL)ethan-1-amine
CID 91911587
1H-Imidazole, 4-methyl-1-pentyl
CID 529337
1H-Imidazole, 5-methyl-1-pentyl
CID 529339
2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 121552282
3-[(5-methyl-1-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 86820590
3-[(1-isopropyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 86820592
N,N-dimethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 110203837
1-Heptyl-4-methylimidazole
CID 21858038

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole (CID 151280967) is 1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole is Cc1cn(CC2CCC(F)(F)CC2)c(C(C)C)n1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole?
The InChIKey is NYJBEADVRUQFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-10(2)13-17-11(3)8-18(13)9-12-4-6-14(15,16)7-5-12/h8,10,12H,4-7,9H2,1-3H3.
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole?
1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole has a molecular weight of 256.34 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole is sourced from PubChem (CID 151280967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).