4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine

C14H13ClF2N4 — CID 176988456

IUPAC4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine
SMILESC=C(Cl)CC1N=C(N/N=C/c2c(F)cccc2F)NC1=C
InChIInChI=1S/C14H13ClF2N4/c1-8(15)6-13-9(2)19-14(20-13)21-18-7-10-11(16)4-3-5-12(10)17/h3-5,7,13H,1-2,6H2,(H2,19,20,21)/b18-7+
InChIKeyLFPIKWYXVHBRDC-CNHKJKLMSA-N
MW310.74 g/mol
LogP2.87
Rot. Bonds4

About 4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine

4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine (PubChem CID 176988456) has the molecular formula C14H13ClF2N4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine.

Molecular Properties

Compound Name4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine
PubChem CID176988456
Molecular FormulaC14H13ClF2N4
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC Name4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine
SMILESC=C(Cl)CC1N=C(N/N=C/c2c(F)cccc2F)NC1=C
InChIInChI=1S/C14H13ClF2N4/c1-8(15)6-13-9(2)19-14(20-13)21-18-7-10-11(16)4-3-5-12(10)17/h3-5,7,13H,1-2,6H2,(H2,19,20,21)/b18-7+
InChIKeyLFPIKWYXVHBRDC-CNHKJKLMSA-N
XLogP2.87
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-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

Related Compounds

N-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 140896154
2-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]acetyl chloride
CID 176988472
3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol
CID 176988475
N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 146217301
N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 140896151
N-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 140896153
N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 146217223
N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 146217300
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine
CID 176988455

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine?
The IUPAC name of 4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine (CID 176988456) is 4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine.
What is the SMILES notation for 4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine?
The canonical SMILES for 4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine is C=C(Cl)CC1N=C(N/N=C/c2c(F)cccc2F)NC1=C.
What is the InChIKey of 4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine?
The InChIKey is LFPIKWYXVHBRDC-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H13ClF2N4/c1-8(15)6-13-9(2)19-14(20-13)21-18-7-10-11(16)4-3-5-12(10)17/h3-5,7,13H,1-2,6H2,(H2,19,20,21)/b18-7+.
What are the key properties of 4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine?
4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine has a molecular weight of 310.74 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine is sourced from PubChem (CID 176988456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).