4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine

C17H16N4O — CID 67720258

IUPAC4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine
SMILESCOc1cccc(-c2[nH]c(N)nc2N=Cc2ccccc2)c1
InChIInChI=1S/C17H16N4O/c1-22-14-9-5-8-13(10-14)15-16(21-17(18)20-15)19-11-12-6-3-2-4-7-12/h2-11H,1H3,(H3,18,20,21)
InChIKeyZGILCZRZCOUHHH-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.42
Rot. Bonds4

About 4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine

4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine (PubChem CID 67720258) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine
PubChem CID67720258
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine
SMILESCOc1cccc(-c2[nH]c(N)nc2N=Cc2ccccc2)c1
InChIInChI=1S/C17H16N4O/c1-22-14-9-5-8-13(10-14)15-16(21-17(18)20-15)19-11-12-6-3-2-4-7-12/h2-11H,1H3,(H3,18,20,21)
InChIKeyZGILCZRZCOUHHH-UHFFFAOYSA-N
XLogP3.42
TPSA76.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
CID 132588517
2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475428
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
5-(3-methoxyphenyl)-1H-imidazol-4-amine
CID 82468693
4,5-bis(3-methoxyphenyl)-2-(2-phenylphenyl)-1H-imidazole
CID 151753479
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
(E)-1-(4-bromophenyl)-N-[5-(4-bromophenyl)-2-phenyl-1H-imidazol-4-yl]methanimine
CID 177468100
2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 1049564
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-(3-methoxyphenyl)-4-phenyl-1,3-thiazol-5-amine
CID 71085692

Frequently Asked Questions

What is the IUPAC name of 4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine?
The IUPAC name of 4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine (CID 67720258) is 4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine.
What is the SMILES notation for 4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine?
The canonical SMILES for 4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine is COc1cccc(-c2[nH]c(N)nc2N=Cc2ccccc2)c1.
What is the InChIKey of 4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine?
The InChIKey is ZGILCZRZCOUHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-14-9-5-8-13(10-14)15-16(21-17(18)20-15)19-11-12-6-3-2-4-7-12/h2-11H,1H3,(H3,18,20,21).
What are the key properties of 4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine?
4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine has a molecular weight of 292.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 67720258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).