N-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine

C19H25N3O — CID 90437895

IUPACN-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESC=C/C(=C\C=C\Cc1ccc(NC2=NCCN2C)cc1)OCC
InChIInChI=1S/C19H25N3O/c1-4-18(23-5-2)9-7-6-8-16-10-12-17(13-11-16)21-19-20-14-15-22(19)3/h4,6-7,9-13H,1,5,8,14-15H2,2-3H3,(H,20,21)/b7-6+,18-9+
InChIKeyUPAKCNQDLLPTMQ-VNDALFFJSA-N
MW311.43 g/mol
LogP3.61
Rot. Bonds7

About N-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 90437895) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID90437895
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESC=C/C(=C\C=C\Cc1ccc(NC2=NCCN2C)cc1)OCC
InChIInChI=1S/C19H25N3O/c1-4-18(23-5-2)9-7-6-8-16-10-12-17(13-11-16)21-19-20-14-15-22(19)3/h4,6-7,9-13H,1,5,8,14-15H2,2-3H3,(H,20,21)/b7-6+,18-9+
InChIKeyUPAKCNQDLLPTMQ-VNDALFFJSA-N
XLogP3.61
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 49861291
N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 12948961
1H-Imidazol-2-amine, 4,5-dihydro-N-(4-(2-methylpropyl)phenyl)-
CID 3078291
N-(4-ethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 44125852
N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide
CID 132603377
2-[[4-(Dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-3-(3-methoxypropyl)guanidine
CID 110974225
1-(4-Ethylphenyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111057700
2-[[4-(Dimethylamino)-3-fluorophenyl]methyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111222893
1-[[4-(Dimethylamino)-3-fluorophenyl]methyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111224905
1-(3-Butoxypropyl)-3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methylguanidine
CID 111240729
2-[[4-(Dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111401247
1-[[4-(Dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111402353

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 90437895) is N-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine is C=C/C(=C\C=C\Cc1ccc(NC2=NCCN2C)cc1)OCC.
What is the InChIKey of N-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is UPAKCNQDLLPTMQ-VNDALFFJSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-18(23-5-2)9-7-6-8-16-10-12-17(13-11-16)21-19-20-14-15-22(19)3/h4,6-7,9-13H,1,5,8,14-15H2,2-3H3,(H,20,21)/b7-6+,18-9+.
What are the key properties of N-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 311.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,4E)-5-ethoxyhepta-2,4,6-trienyl]phenyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 90437895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).