N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine

C17H17N3 — CID 921503

IUPACN-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine
SMILESCCn1c(/C=N/Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H17N3/c1-2-20-16-11-7-6-10-15(16)19-17(20)13-18-12-14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3/b18-13+
InChIKeyWLOQOKXGLOYWSS-QGOAFFKASA-N
MW263.34 g/mol
LogP3.68
Rot. Bonds4

About N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine

N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine (PubChem CID 921503) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine
PubChem CID921503
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine
SMILESCCn1c(/C=N/Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H17N3/c1-2-20-16-11-7-6-10-15(16)19-17(20)13-18-12-14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3/b18-13+
InChIKeyWLOQOKXGLOYWSS-QGOAFFKASA-N
XLogP3.68
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 136636081
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine
CID 1212470
N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide
CID 44791043
[(Z)-(1-benzylbenzimidazol-2-yl)methylideneamino]thiourea
CID 5404540
1-ethyl-2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzimidazole
CID 6489920
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
CID 83976225
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-benzyl-2-propylbenzimidazole
CID 764560
N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine
CID 2858565

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine?
The IUPAC name of N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine (CID 921503) is N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine.
What is the SMILES notation for N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine?
The canonical SMILES for N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine is CCn1c(/C=N/Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine?
The InChIKey is WLOQOKXGLOYWSS-QGOAFFKASA-N. The full InChI is InChI=1S/C17H17N3/c1-2-20-16-11-7-6-10-15(16)19-17(20)13-18-12-14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3/b18-13+.
What are the key properties of N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine?
N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine has a molecular weight of 263.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine is sourced from PubChem (CID 921503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).