3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide

C24H31N3O2 — CID 17007901

IUPAC3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCCCCCn1c(CNC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C24H31N3O2/c1-3-4-5-6-7-10-16-27-22-15-9-8-14-21(22)26-23(27)18-25-24(28)19-12-11-13-20(17-19)29-2/h8-9,11-15,17H,3-7,10,16,18H2,1-2H3,(H,25,28)
InChIKeyDOSXCKOOSKNBJY-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.34
Rot. Bonds11

About 3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide

3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 17007901) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
PubChem CID17007901
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCCCCCn1c(CNC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C24H31N3O2/c1-3-4-5-6-7-10-16-27-22-15-9-8-14-21(22)26-23(27)18-25-24(28)19-12-11-13-20(17-19)29-2/h8-9,11-15,17H,3-7,10,16,18H2,1-2H3,(H,25,28)
InChIKeyDOSXCKOOSKNBJY-UHFFFAOYSA-N
XLogP5.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007935
3-chloro-N-[(1-octadecylbenzimidazol-2-yl)methyl]benzamide
CID 17008230
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17008010
3-methoxy-N-[[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008013
3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide
CID 17007896
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010098
N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010101
3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 5078150
N-[(1-hexadecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963923
N-[(1-decylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963920
N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963921
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
CID 17007112

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide (CID 17007901) is 3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide is CCCCCCCCn1c(CNC(=O)c2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of 3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is DOSXCKOOSKNBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-4-5-6-7-10-16-27-22-15-9-8-14-21(22)26-23(27)18-25-24(28)19-12-11-13-20(17-19)29-2/h8-9,11-15,17H,3-7,10,16,18H2,1-2H3,(H,25,28).
What are the key properties of 3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide?
3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 17007901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).