2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole

C18H22F2N4 — CID 22181647

IUPAC2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole
SMILESCCCn1c(Cn2ccnc2C2(F)C=CC(F)=CC2)nc(C)c1C
InChIInChI=1S/C18H22F2N4/c1-4-10-24-14(3)13(2)22-16(24)12-23-11-9-21-17(23)18(20)7-5-15(19)6-8-18/h5-7,9,11H,4,8,10,12H2,1-3H3
InChIKeyUCNFLXKNUAWUSD-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.13
Rot. Bonds5

About 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole

2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole (PubChem CID 22181647) has the molecular formula C18H22F2N4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole.

Molecular Properties

Compound Name2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole
PubChem CID22181647
Molecular FormulaC18H22F2N4
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole
SMILESCCCn1c(Cn2ccnc2C2(F)C=CC(F)=CC2)nc(C)c1C
InChIInChI=1S/C18H22F2N4/c1-4-10-24-14(3)13(2)22-16(24)12-23-11-9-21-17(23)18(20)7-5-15(19)6-8-18/h5-7,9,11H,4,8,10,12H2,1-3H3
InChIKeyUCNFLXKNUAWUSD-UHFFFAOYSA-N
XLogP4.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole?
The IUPAC name of 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole (CID 22181647) is 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole.
What is the SMILES notation for 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole?
The canonical SMILES for 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole is CCCn1c(Cn2ccnc2C2(F)C=CC(F)=CC2)nc(C)c1C.
What is the InChIKey of 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole?
The InChIKey is UCNFLXKNUAWUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4/c1-4-10-24-14(3)13(2)22-16(24)12-23-11-9-21-17(23)18(20)7-5-15(19)6-8-18/h5-7,9,11H,4,8,10,12H2,1-3H3.
What are the key properties of 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole?
2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole has a molecular weight of 332.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,4-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole is sourced from PubChem (CID 22181647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).