methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate

C12H14FN3O2 — CID 23274821

IUPACmethyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2ccccc2F)N1C
InChIInChI=1S/C12H14FN3O2/c1-16-10(8-5-3-4-6-9(8)13)7-14-11(16)15-12(17)18-2/h3-6,10H,7H2,1-2H3,(H,14,15,17)
InChIKeyMAXMVHRJAJNLIF-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.52
Rot. Bonds1

About methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate

methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate (PubChem CID 23274821) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate
PubChem CID23274821
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Namemethyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2ccccc2F)N1C
InChIInChI=1S/C12H14FN3O2/c1-16-10(8-5-3-4-6-9(8)13)7-14-11(16)15-12(17)18-2/h3-6,10H,7H2,1-2H3,(H,14,15,17)
InChIKeyMAXMVHRJAJNLIF-UHFFFAOYSA-N
XLogP1.52
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

Methyl [5-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 23274544
2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate
CID 22756555
methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 22756623
methyl N-[5-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 22756648
methyl N-[5-(2-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 23340181
methyl N-[5-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 23340190
1-Methyl-4,5-dihydro-5-phenyl-2-methoxycarbonylaminoimidazole
CID 23274511
methyl N-[5-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 23274619
4-(2-Bromophenyl)-4,5-dihydro-2-methoxycarbonylamino-imidazole
CID 23274699
methyl N-[5-(3-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate
CID 23274905
Methyl {5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-imidazol-2-yl}carbamate
CID 23275077
methyl N-[5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 23275478

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate (CID 23274821) is methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate is COC(=O)NC1=NCC(c2ccccc2F)N1C.
What is the InChIKey of methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate?
The InChIKey is MAXMVHRJAJNLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-16-10(8-5-3-4-6-9(8)13)7-14-11(16)15-12(17)18-2/h3-6,10H,7H2,1-2H3,(H,14,15,17).
What are the key properties of methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate?
methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate has a molecular weight of 251.26 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-yl]carbamate is sourced from PubChem (CID 23274821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).