N-(1H-benzimidazol-2-yl)undecanamide

C18H27N3O — CID 5093764

IUPACN-(1H-benzimidazol-2-yl)undecanamide
SMILESCCCCCCCCCCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H27N3O/c1-2-3-4-5-6-7-8-9-14-17(22)21-18-19-15-12-10-11-13-16(15)20-18/h10-13H,2-9,14H2,1H3,(H2,19,20,21,22)
InChIKeyDADAAJQSWSVTRX-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.03
Rot. Bonds10

About N-(1H-benzimidazol-2-yl)undecanamide

N-(1H-benzimidazol-2-yl)undecanamide (PubChem CID 5093764) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)undecanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)undecanamide
PubChem CID5093764
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-(1H-benzimidazol-2-yl)undecanamide
SMILESCCCCCCCCCCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H27N3O/c1-2-3-4-5-6-7-8-9-14-17(22)21-18-19-15-12-10-11-13-16(15)20-18/h10-13H,2-9,14H2,1H3,(H2,19,20,21,22)
InChIKeyDADAAJQSWSVTRX-UHFFFAOYSA-N
XLogP5.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 63562593
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234
hexadecyl N-(1H-benzimidazol-2-yl)carbamate
CID 140968781
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841
N-(1H-benzimidazol-2-yl)-3-methylhexanamide
CID 75418801
4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide
CID 2678988
N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
CID 2472289
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 35808218
N-(1H-benzimidazol-2-yl)-3-cyclopentylpropanamide
CID 4659981

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)undecanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)undecanamide (CID 5093764) is N-(1H-benzimidazol-2-yl)undecanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)undecanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)undecanamide is CCCCCCCCCCC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)undecanamide?
The InChIKey is DADAAJQSWSVTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-2-3-4-5-6-7-8-9-14-17(22)21-18-19-15-12-10-11-13-16(15)20-18/h10-13H,2-9,14H2,1H3,(H2,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)undecanamide?
N-(1H-benzimidazol-2-yl)undecanamide has a molecular weight of 301.43 g/mol, XLogP of 5.03, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)undecanamide is sourced from PubChem (CID 5093764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).