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

C24H33ClN4O — CID 139561212

IUPACN-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride
SMILESCCCCCCCC(=O)Nc1ccc2c(c1)nc(N)n2CCCc1ccccc1.Cl
InChIInChI=1S/C24H32N4O.ClH/c1-2-3-4-5-9-14-23(29)26-20-15-16-22-21(18-20)27-24(25)28(22)17-10-13-19-11-7-6-8-12-19;/h6-8,11-12,15-16,18H,2-5,9-10,13-14,17H2,1H3,(H2,25,27)(H,26,29);1H
InChIKeyCXEBOJSDSBTDDI-UHFFFAOYSA-N
MW429.01 g/mol
LogP5.97
Rot. Bonds11

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

N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride (PubChem CID 139561212) has the molecular formula C24H33ClN4O and a molecular weight of 429.01 g/mol. Its IUPAC name is N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride
PubChem CID139561212
Molecular FormulaC24H33ClN4O
Molecular Weight429.01 g/mol
Exact Mass428.23
IUPAC NameN-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride
SMILESCCCCCCCC(=O)Nc1ccc2c(c1)nc(N)n2CCCc1ccccc1.Cl
InChIInChI=1S/C24H32N4O.ClH/c1-2-3-4-5-9-14-23(29)26-20-15-16-22-21(18-20)27-24(25)28(22)17-10-13-19-11-7-6-8-12-19;/h6-8,11-12,15-16,18H,2-5,9-10,13-14,17H2,1H3,(H2,25,27)(H,26,29);1H
InChIKeyCXEBOJSDSBTDDI-UHFFFAOYSA-N
XLogP5.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.01
LogP ≤ 55.97
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

2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride
CID 139559905
N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide
CID 123952258
N-[2,4-dioxo-3-(2-phenylethyl)-1H-benzo[g]pteridin-8-yl]heptanamide
CID 22428533
N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide
CID 139561630
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(4-heptylphenyl)heptanamide
CID 101077737
2-amino-1-butylbenzimidazole-5-carboxylic acid
CID 91671806
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-pyridin-4-ylbutanamide
CID 46964209
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide
CID 131927243
formamide;N-phenylheptanamide
CID 143464966
N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride
CID 139559947
N-phenylpentacosanamide
CID 19025260

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride?
The IUPAC name of N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride (CID 139561212) is N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride.
What is the SMILES notation for N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride?
The canonical SMILES for N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride is CCCCCCCC(=O)Nc1ccc2c(c1)nc(N)n2CCCc1ccccc1.Cl.
What is the InChIKey of N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride?
The InChIKey is CXEBOJSDSBTDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O.ClH/c1-2-3-4-5-9-14-23(29)26-20-15-16-22-21(18-20)27-24(25)28(22)17-10-13-19-11-7-6-8-12-19;/h6-8,11-12,15-16,18H,2-5,9-10,13-14,17H2,1H3,(H2,25,27)(H,26,29);1H.
What are the key properties of N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride?
N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride has a molecular weight of 429.01 g/mol, XLogP of 5.97, 11 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]octanamide;hydrochloride is sourced from PubChem (CID 139561212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).