N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide

C24H37N3O — CID 16969793

IUPACN-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
SMILESCCCCCCCCCCCCn1c(CNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C24H37N3O/c1-2-3-4-5-6-7-8-9-10-13-18-27-22-15-12-11-14-21(22)26-23(27)19-25-24(28)20-16-17-20/h11-12,14-15,20H,2-10,13,16-19H2,1H3,(H,25,28)
InChIKeyZJLXVMOFUHUQJC-UHFFFAOYSA-N
MW383.58 g/mol
LogP5.98
Rot. Bonds14

About N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide

N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 16969793) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
PubChem CID16969793
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC NameN-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
SMILESCCCCCCCCCCCCn1c(CNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C24H37N3O/c1-2-3-4-5-6-7-8-9-10-13-18-27-22-15-12-11-14-21(22)26-23(27)19-25-24(28)20-16-17-20/h11-12,14-15,20H,2-10,13,16-19H2,1H3,(H,25,28)
InChIKeyZJLXVMOFUHUQJC-UHFFFAOYSA-N
XLogP5.98
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 ≤ 55.98
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-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975148
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
2-ethyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]butanamide
CID 17006363

Frequently Asked Questions

What is the IUPAC name of N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide (CID 16969793) is N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide is CCCCCCCCCCCCn1c(CNC(=O)C2CC2)nc2ccccc21.
What is the InChIKey of N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is ZJLXVMOFUHUQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-2-3-4-5-6-7-8-9-10-13-18-27-22-15-12-11-14-21(22)26-23(27)19-25-24(28)20-16-17-20/h11-12,14-15,20H,2-10,13,16-19H2,1H3,(H,25,28).
What are the key properties of N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide?
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 383.58 g/mol, XLogP of 5.98, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 16969793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).