N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide

C24H37N3O — CID 16981622

IUPACN-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
SMILESCCCCCCCCCCn1c(CCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C24H37N3O/c1-2-3-4-5-6-7-8-11-19-27-22-14-10-9-13-21(22)26-23(27)15-12-18-25-24(28)20-16-17-20/h9-10,13-14,20H,2-8,11-12,15-19H2,1H3,(H,25,28)
InChIKeyCMIFBODEAKONDE-UHFFFAOYSA-N
MW383.58 g/mol
LogP5.64
Rot. Bonds14

About N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide

N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide (PubChem CID 16981622) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
PubChem CID16981622
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC NameN-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
SMILESCCCCCCCCCCn1c(CCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C24H37N3O/c1-2-3-4-5-6-7-8-11-19-27-22-14-10-9-13-21(22)26-23(27)15-12-18-25-24(28)20-16-17-20/h9-10,13-14,20H,2-8,11-12,15-19H2,1H3,(H,25,28)
InChIKeyCMIFBODEAKONDE-UHFFFAOYSA-N
XLogP5.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975148
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981785
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811164
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
CID 16980820
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811165

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide (CID 16981622) is N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide is CCCCCCCCCCn1c(CCCNC(=O)C2CC2)nc2ccccc21.
What is the InChIKey of N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide?
The InChIKey is CMIFBODEAKONDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-2-3-4-5-6-7-8-11-19-27-22-14-10-9-13-21(22)26-23(27)15-12-18-25-24(28)20-16-17-20/h9-10,13-14,20H,2-8,11-12,15-19H2,1H3,(H,25,28).
What are the key properties of N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide?
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide has a molecular weight of 383.58 g/mol, XLogP of 5.64, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide is sourced from PubChem (CID 16981622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).