(4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine

C23H27F2N3O2 — CID 70298818

IUPAC(4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine
SMILESC=CC[C@H](C)Oc1cccc([C@@]2(C3C=CC(OC(F)F)=CC3)N=C(N)N(C)C2=C)c1
InChIInChI=1S/C23H27F2N3O2/c1-5-7-15(2)29-20-9-6-8-18(14-20)23(16(3)28(4)22(26)27-23)17-10-12-19(13-11-17)30-21(24)25/h5-6,8-10,12-15,17,21H,1,3,7,11H2,2,4H3,(H2,26,27)/t15-,17?,23+/m0/s1
InChIKeyZSAUORMNCFPIIA-ZIRYNMFWSA-N
MW415.48 g/mol
LogP4.70
Rot. Bonds8

About (4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine

(4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine (PubChem CID 70298818) has the molecular formula C23H27F2N3O2 and a molecular weight of 415.48 g/mol. Its IUPAC name is (4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine.

Molecular Properties

Compound Name(4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine
PubChem CID70298818
Molecular FormulaC23H27F2N3O2
Molecular Weight415.48 g/mol
Exact Mass415.21
IUPAC Name(4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine
SMILESC=CC[C@H](C)Oc1cccc([C@@]2(C3C=CC(OC(F)F)=CC3)N=C(N)N(C)C2=C)c1
InChIInChI=1S/C23H27F2N3O2/c1-5-7-15(2)29-20-9-6-8-18(14-20)23(16(3)28(4)22(26)27-23)17-10-12-19(13-11-17)30-21(24)25/h5-6,8-10,12-15,17,21H,1,3,7,11H2,2,4H3,(H2,26,27)/t15-,17?,23+/m0/s1
InChIKeyZSAUORMNCFPIIA-ZIRYNMFWSA-N
XLogP4.70
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine 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 (4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine?
The IUPAC name of (4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine (CID 70298818) is (4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine.
What is the SMILES notation for (4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine?
The canonical SMILES for (4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine is C=CC[C@H](C)Oc1cccc([C@@]2(C3C=CC(OC(F)F)=CC3)N=C(N)N(C)C2=C)c1.
What is the InChIKey of (4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine?
The InChIKey is ZSAUORMNCFPIIA-ZIRYNMFWSA-N. The full InChI is InChI=1S/C23H27F2N3O2/c1-5-7-15(2)29-20-9-6-8-18(14-20)23(16(3)28(4)22(26)27-23)17-10-12-19(13-11-17)30-21(24)25/h5-6,8-10,12-15,17,21H,1,3,7,11H2,2,4H3,(H2,26,27)/t15-,17?,23+/m0/s1.
What are the key properties of (4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine?
(4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine has a molecular weight of 415.48 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-1-methyl-5-methylidene-4-[3-[(2S)-pent-4-en-2-yl]oxyphenyl]imidazol-2-amine is sourced from PubChem (CID 70298818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).