N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride

C26H37ClN4O — CID 139559889

IUPACN-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride
SMILESCCCCCCCCCC(=O)Nc1ccc2c(c1)nc(N)n2CCCc1ccccc1.Cl
InChIInChI=1S/C26H36N4O.ClH/c1-2-3-4-5-6-7-11-16-25(31)28-22-17-18-24-23(20-22)29-26(27)30(24)19-12-15-21-13-9-8-10-14-21;/h8-10,13-14,17-18,20H,2-7,11-12,15-16,19H2,1H3,(H2,27,29)(H,28,31);1H
InChIKeySFHQBBJWOKFFRX-UHFFFAOYSA-N
MW457.06 g/mol
LogP6.75
Rot. Bonds13

About N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride

N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride (PubChem CID 139559889) has the molecular formula C26H37ClN4O and a molecular weight of 457.06 g/mol. Its IUPAC name is N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride
PubChem CID139559889
Molecular FormulaC26H37ClN4O
Molecular Weight457.06 g/mol
Exact Mass456.27
IUPAC NameN-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride
SMILESCCCCCCCCCC(=O)Nc1ccc2c(c1)nc(N)n2CCCc1ccccc1.Cl
InChIInChI=1S/C26H36N4O.ClH/c1-2-3-4-5-6-7-11-16-25(31)28-22-17-18-24-23(20-22)29-26(27)30(24)19-12-15-21-13-9-8-10-14-21;/h8-10,13-14,17-18,20H,2-7,11-12,15-16,19H2,1H3,(H2,27,29)(H,28,31);1H
InChIKeySFHQBBJWOKFFRX-UHFFFAOYSA-N
XLogP6.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.06
LogP ≤ 56.75
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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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride?
The IUPAC name of N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride (CID 139559889) is N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride.
What is the SMILES notation for N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride?
The canonical SMILES for N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride is CCCCCCCCCC(=O)Nc1ccc2c(c1)nc(N)n2CCCc1ccccc1.Cl.
What is the InChIKey of N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride?
The InChIKey is SFHQBBJWOKFFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O.ClH/c1-2-3-4-5-6-7-11-16-25(31)28-22-17-18-24-23(20-22)29-26(27)30(24)19-12-15-21-13-9-8-10-14-21;/h8-10,13-14,17-18,20H,2-7,11-12,15-16,19H2,1H3,(H2,27,29)(H,28,31);1H.
What are the key properties of N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride?
N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride has a molecular weight of 457.06 g/mol, XLogP of 6.75, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]decanamide;hydrochloride is sourced from PubChem (CID 139559889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).