2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine

C21H24N6 — CID 1212470

IUPAC2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCCn1c(C=Nc2nc3ccccc3n2CCN(C)C)nc2ccccc21
InChIInChI=1S/C21H24N6/c1-4-26-18-11-7-5-9-16(18)23-20(26)15-22-21-24-17-10-6-8-12-19(17)27(21)14-13-25(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyCNRWENSXHHFZOR-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.72
Rot. Bonds6

About 2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine

2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 1212470) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine
PubChem CID1212470
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCCn1c(C=Nc2nc3ccccc3n2CCN(C)C)nc2ccccc21
InChIInChI=1S/C21H24N6/c1-4-26-18-11-7-5-9-16(18)23-20(26)15-22-21-24-17-10-6-8-12-19(17)27(21)14-13-25(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyCNRWENSXHHFZOR-UHFFFAOYSA-N
XLogP3.72
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol
CID 135822358
2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine
CID 3746017
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine
CID 921503
1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine
CID 3649106
4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol
CID 3598665
4-bromo-2-[(E)-(1-butylbenzimidazol-2-yl)iminomethyl]phenol
CID 135641159
N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide
CID 44791043
2-[(E)-(1-butylbenzimidazol-2-yl)iminomethyl]-6-nitrophenol
CID 135822244
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine (CID 1212470) is 2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine is CCn1c(C=Nc2nc3ccccc3n2CCN(C)C)nc2ccccc21.
What is the InChIKey of 2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is CNRWENSXHHFZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-4-26-18-11-7-5-9-16(18)23-20(26)15-22-21-24-17-10-6-8-12-19(17)27(21)14-13-25(2)3/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of 2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine?
2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 360.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 1212470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).