N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide

C19H29N3O — CID 17005899

IUPACN-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
SMILESCCCCCCCCCn1c(CNC(C)=O)nc2ccccc21
InChIInChI=1S/C19H29N3O/c1-3-4-5-6-7-8-11-14-22-18-13-10-9-12-17(18)21-19(22)15-20-16(2)23/h9-10,12-13H,3-8,11,14-15H2,1-2H3,(H,20,23)
InChIKeyTVPAEUJAQJPNAG-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.42
Rot. Bonds10

About N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide

N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 17005899) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
PubChem CID17005899
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
SMILESCCCCCCCCCn1c(CNC(C)=O)nc2ccccc21
InChIInChI=1S/C19H29N3O/c1-3-4-5-6-7-8-11-14-22-18-13-10-9-12-17(18)21-19(22)15-20-16(2)23/h9-10,12-13H,3-8,11,14-15H2,1-2H3,(H,20,23)
InChIKeyTVPAEUJAQJPNAG-UHFFFAOYSA-N
XLogP4.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972370
N-[(1-heptylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972365
2-ethyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]butanamide
CID 17006363
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide
CID 16972208
N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide
CID 52904872
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
4-methyl-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007109
N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965544
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
CID 17007112
2-fluoro-N-[(1-hexadecylbenzimidazol-2-yl)methyl]benzamide
CID 17007744

Frequently Asked Questions

What is the IUPAC name of N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide (CID 17005899) is N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide is CCCCCCCCCn1c(CNC(C)=O)nc2ccccc21.
What is the InChIKey of N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is TVPAEUJAQJPNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-4-5-6-7-8-11-14-22-18-13-10-9-12-17(18)21-19(22)15-20-16(2)23/h9-10,12-13H,3-8,11,14-15H2,1-2H3,(H,20,23).
What are the key properties of N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide?
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 315.46 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 17005899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).