N-(1-octylbenzimidazol-2-yl)benzamide

C22H27N3O — CID 21449929

IUPACN-(1-octylbenzimidazol-2-yl)benzamide
SMILESCCCCCCCCn1c(NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-2-3-4-5-6-12-17-25-20-16-11-10-15-19(20)23-22(25)24-21(26)18-13-8-7-9-14-18/h7-11,13-16H,2-6,12,17H2,1H3,(H,23,24,26)
InChIKeyVEDPPNBRILWQIA-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.65
Rot. Bonds9

About N-(1-octylbenzimidazol-2-yl)benzamide

N-(1-octylbenzimidazol-2-yl)benzamide (PubChem CID 21449929) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(1-octylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-octylbenzimidazol-2-yl)benzamide
PubChem CID21449929
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-(1-octylbenzimidazol-2-yl)benzamide
SMILESCCCCCCCCn1c(NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-2-3-4-5-6-12-17-25-20-16-11-10-15-19(20)23-22(25)24-21(26)18-13-8-7-9-14-18/h7-11,13-16H,2-6,12,17H2,1H3,(H,23,24,26)
InChIKeyVEDPPNBRILWQIA-UHFFFAOYSA-N
XLogP5.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.65
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

3-[[1-(6-bromohexyl)benzimidazol-2-yl]carbamoyl]benzoic acid
CID 172789945
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 7408843
3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride
CID 119770789
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide
CID 1111773

Frequently Asked Questions

What is the IUPAC name of N-(1-octylbenzimidazol-2-yl)benzamide?
The IUPAC name of N-(1-octylbenzimidazol-2-yl)benzamide (CID 21449929) is N-(1-octylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for N-(1-octylbenzimidazol-2-yl)benzamide?
The canonical SMILES for N-(1-octylbenzimidazol-2-yl)benzamide is CCCCCCCCn1c(NC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-(1-octylbenzimidazol-2-yl)benzamide?
The InChIKey is VEDPPNBRILWQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-2-3-4-5-6-12-17-25-20-16-11-10-15-19(20)23-22(25)24-21(26)18-13-8-7-9-14-18/h7-11,13-16H,2-6,12,17H2,1H3,(H,23,24,26).
What are the key properties of N-(1-octylbenzimidazol-2-yl)benzamide?
N-(1-octylbenzimidazol-2-yl)benzamide has a molecular weight of 349.48 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-octylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 21449929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).