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

C17H18N4O — CID 110512019

IUPACN-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
SMILESCCOc1ccccc1/C=N\Nc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C17H18N4O/c1-3-22-16-7-5-4-6-13(16)11-18-21-17-19-14-9-8-12(2)10-15(14)20-17/h4-11H,3H2,1-2H3,(H2,19,20,21)/b18-11-
InChIKeyLCKZDBXUQTWLBO-WQRHYEAKSA-N
MW294.36 g/mol
LogP3.72
Rot. Bonds5

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

N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine (PubChem CID 110512019) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
PubChem CID110512019
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
SMILESCCOc1ccccc1/C=N\Nc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C17H18N4O/c1-3-22-16-7-5-4-6-13(16)11-18-21-17-19-14-9-8-12(2)10-15(14)20-17/h4-11H,3H2,1-2H3,(H2,19,20,21)/b18-11-
InChIKeyLCKZDBXUQTWLBO-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

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511818
6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 110512014
N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511995
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511979
2-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920913
6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110511992
N-[(Z)-(3-ethoxy-5-nitro-4-propoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511910
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 21370286
[2-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate
CID 94844792
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110514872
4-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenol
CID 136806309
2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136787411

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine (CID 110512019) is N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine is CCOc1ccccc1/C=N\Nc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
The InChIKey is LCKZDBXUQTWLBO-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-22-16-7-5-4-6-13(16)11-18-21-17-19-14-9-8-12(2)10-15(14)20-17/h4-11H,3H2,1-2H3,(H2,19,20,21)/b18-11-.
What are the key properties of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
N-[(Z)-(2-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)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 110512019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).