1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol

C14H23F2N3O — CID 65118389

IUPAC1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2nccn2C(F)F)CC1
InChIInChI=1S/C14H23F2N3O/c1-2-11-3-5-14(20,6-4-11)10-17-9-12-18-7-8-19(12)13(15)16/h7-8,11,13,17,20H,2-6,9-10H2,1H3
InChIKeyJAJOZPGVNAQAHB-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.70
Rot. Bonds6

About 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol

1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65118389) has the molecular formula C14H23F2N3O and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID65118389
Molecular FormulaC14H23F2N3O
Molecular Weight287.35 g/mol
Exact Mass287.18
IUPAC Name1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2nccn2C(F)F)CC1
InChIInChI=1S/C14H23F2N3O/c1-2-11-3-5-14(20,6-4-11)10-17-9-12-18-7-8-19(12)13(15)16/h7-8,11,13,17,20H,2-6,9-10H2,1H3
InChIKeyJAJOZPGVNAQAHB-UHFFFAOYSA-N
XLogP2.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol (CID 65118389) is 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNCc2nccn2C(F)F)CC1.
What is the InChIKey of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is JAJOZPGVNAQAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O/c1-2-11-3-5-14(20,6-4-11)10-17-9-12-18-7-8-19(12)13(15)16/h7-8,11,13,17,20H,2-6,9-10H2,1H3.
What are the key properties of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol?
1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 287.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65118389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).