N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide

C21H31N3O — CID 16975148

IUPACN-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESCCCCCCCCn1c(CCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C21H31N3O/c1-2-3-4-5-6-9-16-24-19-11-8-7-10-18(19)23-20(24)14-15-22-21(25)17-12-13-17/h7-8,10-11,17H,2-6,9,12-16H2,1H3,(H,22,25)
InChIKeyIZTDRPYDYARBLX-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.47
Rot. Bonds11

About N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide

N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide (PubChem CID 16975148) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
PubChem CID16975148
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESCCCCCCCCn1c(CCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C21H31N3O/c1-2-3-4-5-6-9-16-24-19-11-8-7-10-18(19)23-20(24)14-15-22-21(25)17-12-13-17/h7-8,10-11,17H,2-6,9,12-16H2,1H3,(H,22,25)
InChIKeyIZTDRPYDYARBLX-UHFFFAOYSA-N
XLogP4.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.47
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-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980216
2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide
CID 16974546

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide (CID 16975148) is N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide is CCCCCCCCn1c(CCNC(=O)C2CC2)nc2ccccc21.
What is the InChIKey of N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is IZTDRPYDYARBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-2-3-4-5-6-9-16-24-19-11-8-7-10-18(19)23-20(24)14-15-22-21(25)17-12-13-17/h7-8,10-11,17H,2-6,9,12-16H2,1H3,(H,22,25).
What are the key properties of N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide?
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 341.50 g/mol, XLogP of 4.47, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 16975148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).