N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine

C24H24N4O2 — CID 110511995

IUPACN-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine
SMILESCOc1cccc(/C=N\Nc2nc3ccc(C)cc3[nH]2)c1OCc1cccc(C)c1
InChIInChI=1S/C24H24N4O2/c1-16-6-4-7-18(12-16)15-30-23-19(8-5-9-22(23)29-3)14-25-28-24-26-20-11-10-17(2)13-21(20)27-24/h4-14H,15H2,1-3H3,(H2,26,27,28)/b25-14-
InChIKeyIBAMRHGCJYTGNF-QFEZKATASA-N
MW400.48 g/mol
LogP5.21
Rot. Bonds7

About N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine

N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine (PubChem CID 110511995) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine
PubChem CID110511995
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine
SMILESCOc1cccc(/C=N\Nc2nc3ccc(C)cc3[nH]2)c1OCc1cccc(C)c1
InChIInChI=1S/C24H24N4O2/c1-16-6-4-7-18(12-16)15-30-23-19(8-5-9-22(23)29-3)14-25-28-24-26-20-11-10-17(2)13-21(20)27-24/h4-14H,15H2,1-3H3,(H2,26,27,28)/b25-14-
InChIKeyIBAMRHGCJYTGNF-QFEZKATASA-N
XLogP5.21
TPSA71.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine
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N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
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N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
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N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine;2-ethoxyprop-1-ene
CID 143204728
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine
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(Z)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]prop-2-enenitrile
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N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide
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N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine (CID 110511995) is N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine is COc1cccc(/C=N\Nc2nc3ccc(C)cc3[nH]2)c1OCc1cccc(C)c1.
What is the InChIKey of N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
The InChIKey is IBAMRHGCJYTGNF-QFEZKATASA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-6-4-7-18(12-16)15-30-23-19(8-5-9-22(23)29-3)14-25-28-24-26-20-11-10-17(2)13-21(20)27-24/h4-14H,15H2,1-3H3,(H2,26,27,28)/b25-14-.
What are the key properties of N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine has a molecular weight of 400.48 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 110511995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).