7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine

C21H19F2N3 — CID 72714744

IUPAC—
SMILESCC1=NC2(N=C1N)c1cc(-c3cc(F)cc(F)c3)ccc1CCC21CC1
InChIInChI=1S/C21H19F2N3/c1-12-19(24)26-21(25-12)18-10-14(15-8-16(22)11-17(23)9-15)3-2-13(18)4-5-20(21)6-7-20/h2-3,8-11H,4-7H2,1H3,(H2,24,26)
InChIKeyOMBWPONBVQEDHK-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.34
Rot. Bonds1

About 7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine

7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine (PubChem CID 72714744) has the molecular formula C21H19F2N3 and a molecular weight of 351.40 g/mol.

Molecular Properties

Compound Name7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine
PubChem CID72714744
Molecular FormulaC21H19F2N3
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name—
SMILESCC1=NC2(N=C1N)c1cc(-c3cc(F)cc(F)c3)ccc1CCC21CC1
InChIInChI=1S/C21H19F2N3/c1-12-19(24)26-21(25-12)18-10-14(15-8-16(22)11-17(23)9-15)3-2-13(18)4-5-20(21)6-7-20/h2-3,8-11H,4-7H2,1H3,(H2,24,26)
InChIKeyOMBWPONBVQEDHK-UHFFFAOYSA-N
XLogP4.34
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine 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

CID 67979593
CID 67979593
6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine
CID 57386149
CID 67979574
CID 67979574
CID 67979498
CID 67979498
CID 141388602
CID 141388602
CID 90965406
CID 90965406
CID 72705048
CID 72705048
6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine
CID 57386415
CID 147085200
CID 147085200
6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine
CID 142652577
6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 142035350
5'-Fluoro-6'-(3-fluoropropoxy)-4-methoxy-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
CID 72705236

Frequently Asked Questions

What is the IUPAC name of 7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine?
The IUPAC name of 7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine (CID 72714744) is not available.
What is the SMILES notation for 7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine?
The canonical SMILES for 7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine is CC1=NC2(N=C1N)c1cc(-c3cc(F)cc(F)c3)ccc1CCC21CC1.
What is the InChIKey of 7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine?
The InChIKey is OMBWPONBVQEDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3/c1-12-19(24)26-21(25-12)18-10-14(15-8-16(22)11-17(23)9-15)3-2-13(18)4-5-20(21)6-7-20/h2-3,8-11H,4-7H2,1H3,(H2,24,26).
What are the key properties of 7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine?
7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine has a molecular weight of 351.40 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(3,5-Difluorophenyl)-5''-methyl-3',4'-dihydrodispiro[cyclopropane-1,2'-naphthalene-1',2''-imidazol]-4''-amine is sourced from PubChem (CID 72714744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).