N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine

C17H18N4O — CID 110511818

IUPACN-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
SMILESCCOc1ccc(/C=N\Nc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C17H18N4O/c1-3-22-14-7-5-13(6-8-14)11-18-21-17-19-15-9-4-12(2)10-16(15)20-17/h4-11H,3H2,1-2H3,(H2,19,20,21)/b18-11-
InChIKeyIKMAYQVMSFWWEK-WQRHYEAKSA-N
MW294.36 g/mol
LogP3.72
Rot. Bonds5

About N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine (PubChem CID 110511818) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
PubChem CID110511818
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
SMILESCCOc1ccc(/C=N\Nc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C17H18N4O/c1-3-22-14-7-5-13(6-8-14)11-18-21-17-19-15-9-4-12(2)10-16(15)20-17/h4-11H,3H2,1-2H3,(H2,19,20,21)/b18-11-
InChIKeyIKMAYQVMSFWWEK-WQRHYEAKSA-N
XLogP3.72
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110511992
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110512019
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
N-[(Z)-(3-ethoxy-5-nitro-4-propoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511910
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511861
N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511877
6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 110512014
6-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 110511816
2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136787411
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 4166648
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110514872
4-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenol
CID 136806309

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine (CID 110511818) is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine is CCOc1ccc(/C=N\Nc2nc3ccc(C)cc3[nH]2)cc1.
What is the InChIKey of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
The InChIKey is IKMAYQVMSFWWEK-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-22-14-7-5-13(6-8-14)11-18-21-17-19-15-9-4-12(2)10-16(15)20-17/h4-11H,3H2,1-2H3,(H2,19,20,21)/b18-11-.
What are the key properties of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine has a molecular weight of 294.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 110511818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).