N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine

C21H24N4 — CID 4622301

IUPACN-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine
SMILESCCCCCC(C=NNc1nc2ccccc2[nH]1)=Cc1ccccc1
InChIInChI=1S/C21H24N4/c1-2-3-5-12-18(15-17-10-6-4-7-11-17)16-22-25-21-23-19-13-8-9-14-20(19)24-21/h4,6-11,13-16H,2-3,5,12H2,1H3,(H2,23,24,25)
InChIKeyBUMDOOLPQZSRQM-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.62
Rot. Bonds8

About N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine

N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine (PubChem CID 4622301) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine
PubChem CID4622301
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC NameN-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine
SMILESCCCCCC(C=NNc1nc2ccccc2[nH]1)=Cc1ccccc1
InChIInChI=1S/C21H24N4/c1-2-3-5-12-18(15-17-10-6-4-7-11-17)16-22-25-21-23-19-13-8-9-14-20(19)24-21/h4,6-11,13-16H,2-3,5,12H2,1H3,(H2,23,24,25)
InChIKeyBUMDOOLPQZSRQM-UHFFFAOYSA-N
XLogP5.62
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine (CID 4622301) is N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine is CCCCCC(C=NNc1nc2ccccc2[nH]1)=Cc1ccccc1.
What is the InChIKey of N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine?
The InChIKey is BUMDOOLPQZSRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-3-5-12-18(15-17-10-6-4-7-11-17)16-22-25-21-23-19-13-8-9-14-20(19)24-21/h4,6-11,13-16H,2-3,5,12H2,1H3,(H2,23,24,25).
What are the key properties of N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine?
N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine has a molecular weight of 332.45 g/mol, XLogP of 5.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine is sourced from PubChem (CID 4622301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).