5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine

C20H22N4O — CID 23938558

IUPAC5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine
SMILESCCCOc1ccc(C=Nn2c(-c3ccc(C)cc3)cnc2N)cc1
InChIInChI=1S/C20H22N4O/c1-3-12-25-18-10-6-16(7-11-18)13-23-24-19(14-22-20(24)21)17-8-4-15(2)5-9-17/h4-11,13-14H,3,12H2,1-2H3,(H2,21,22)
InChIKeyRQNZTUOIXUCIIF-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.11
Rot. Bonds6

About 5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine

5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine (PubChem CID 23938558) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine
PubChem CID23938558
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine
SMILESCCCOc1ccc(C=Nn2c(-c3ccc(C)cc3)cnc2N)cc1
InChIInChI=1S/C20H22N4O/c1-3-12-25-18-10-6-16(7-11-18)13-23-24-19(14-22-20(24)21)17-8-4-15(2)5-9-17/h4-11,13-14H,3,12H2,1-2H3,(H2,21,22)
InChIKeyRQNZTUOIXUCIIF-UHFFFAOYSA-N
XLogP4.11
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyphenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 6878582
6-amino-4-methyl-1-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridin-2-one
CID 9024577
6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024322
6-methyl-3-methylsulfanyl-4-[(Z)-(4-propoxyphenyl)methylideneamino]-1,2,4-triazin-5-one
CID 110507822
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
(E)-1-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5349484
6-amino-1-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024414
3-(4-ethoxyphenyl)-4-[(Z)-(4-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 5421051
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
3-(5-methyl-1H-pyrazol-3-yl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 6891863
3-(5-methyl-1H-pyrazol-3-yl)-4-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 6407516
4-[(Z)-(4-butoxyphenyl)methylideneamino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
CID 110507823

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine?
The IUPAC name of 5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine (CID 23938558) is 5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine is CCCOc1ccc(C=Nn2c(-c3ccc(C)cc3)cnc2N)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine?
The InChIKey is RQNZTUOIXUCIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-12-25-18-10-6-16(7-11-18)13-23-24-19(14-22-20(24)21)17-8-4-15(2)5-9-17/h4-11,13-14H,3,12H2,1-2H3,(H2,21,22).
What are the key properties of 5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine?
5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine has a molecular weight of 334.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-[(4-propoxyphenyl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 23938558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).