(2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine

C27H25N5 — CID 142003740

IUPAC(2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine
SMILESCc1ccc(C(c2ccc3c(c2)C(c2ccccc2)=C/C(=C/N)N3N)n2ccnc2)cc1
InChIInChI=1S/C27H25N5/c1-19-7-9-21(10-8-19)27(31-14-13-30-18-31)22-11-12-26-25(15-22)24(16-23(17-28)32(26)29)20-5-3-2-4-6-20/h2-18,27H,28-29H2,1H3/b23-17-
InChIKeyBWJURTZCACERQZ-QJOMJCCJSA-N
MW419.53 g/mol
LogP4.75
Rot. Bonds4

About (2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine

(2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine (PubChem CID 142003740) has the molecular formula C27H25N5 and a molecular weight of 419.53 g/mol. Its IUPAC name is (2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine.

Molecular Properties

Compound Name(2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine
PubChem CID142003740
Molecular FormulaC27H25N5
Molecular Weight419.53 g/mol
Exact Mass419.21
IUPAC Name(2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine
SMILESCc1ccc(C(c2ccc3c(c2)C(c2ccccc2)=C/C(=C/N)N3N)n2ccnc2)cc1
InChIInChI=1S/C27H25N5/c1-19-7-9-21(10-8-19)27(31-14-13-30-18-31)22-11-12-26-25(15-22)24(16-23(17-28)32(26)29)20-5-3-2-4-6-20/h2-18,27H,28-29H2,1H3/b23-17-
InChIKeyBWJURTZCACERQZ-QJOMJCCJSA-N
XLogP4.75
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzhydrylimidazole;hydrobromide
CID 174865219
6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline
CID 19875835
5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole
CID 174253114
1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole
CID 14594096
1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole
CID 141225609
1-[1-(4-methylphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
CID 510049
7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 69019508
6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one
CID 143057236
6-[imidazol-1-yl(phenyl)methyl]-3H-1,3-benzothiazol-2-one
CID 58828708
ethyl 4-[4-[imidazol-1-yl(phenyl)methyl]phenoxy]butanoate
CID 139612850
6-[imidazol-1-yl(phenyl)methyl]quinoline sulfate
CID 19967120
1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one
CID 141114210

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine?
The IUPAC name of (2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine (CID 142003740) is (2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine.
What is the SMILES notation for (2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine?
The canonical SMILES for (2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine is Cc1ccc(C(c2ccc3c(c2)C(c2ccccc2)=C/C(=C/N)N3N)n2ccnc2)cc1.
What is the InChIKey of (2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine?
The InChIKey is BWJURTZCACERQZ-QJOMJCCJSA-N. The full InChI is InChI=1S/C27H25N5/c1-19-7-9-21(10-8-19)27(31-14-13-30-18-31)22-11-12-26-25(15-22)24(16-23(17-28)32(26)29)20-5-3-2-4-6-20/h2-18,27H,28-29H2,1H3/b23-17-.
What are the key properties of (2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine?
(2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine has a molecular weight of 419.53 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine is sourced from PubChem (CID 142003740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).