7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride

C20H26Cl2N4O — CID 119834351

IUPAC7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C20H24N4O.2ClH/c21-14-6-2-1-3-9-20(25)23-16-10-12-17(13-11-16)24-15-22-18-7-4-5-8-19(18)24;;/h4-5,7-8,10-13,15H,1-3,6,9,14,21H2,(H,23,25);2*1H
InChIKeyMKZHUESMBDIUQP-UHFFFAOYSA-N
MW409.36 g/mol
LogP4.72
Rot. Bonds8

About 7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride

7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride (PubChem CID 119834351) has the molecular formula C20H26Cl2N4O and a molecular weight of 409.36 g/mol. Its IUPAC name is 7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride
PubChem CID119834351
Molecular FormulaC20H26Cl2N4O
Molecular Weight409.36 g/mol
Exact Mass408.15
IUPAC Name7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C20H24N4O.2ClH/c21-14-6-2-1-3-9-20(25)23-16-10-12-17(13-11-16)24-15-22-18-7-4-5-8-19(18)24;;/h4-5,7-8,10-13,15H,1-3,6,9,14,21H2,(H,23,25);2*1H
InChIKeyMKZHUESMBDIUQP-UHFFFAOYSA-N
XLogP4.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
CID 119760545
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
CID 166193330
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide
CID 18140016
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide
CID 43704126
(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide
CID 60553883
N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 24600085
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
N-[6-(benzimidazol-1-yl)-3-pyridinyl]pentanamide
CID 134004728
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
CID 119834374

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride (CID 119834351) is 7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride is Cl.Cl.NCCCCCCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride?
The InChIKey is MKZHUESMBDIUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.2ClH/c21-14-6-2-1-3-9-20(25)23-16-10-12-17(13-11-16)24-15-22-18-7-4-5-8-19(18)24;;/h4-5,7-8,10-13,15H,1-3,6,9,14,21H2,(H,23,25);2*1H.
What are the key properties of 7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride?
7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride has a molecular weight of 409.36 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119834351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).