N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide

C21H25N3O2 — CID 60584238

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide
SMILESCc1cccc(OCCCCC(=O)NCc2nc3ccccc3n2C)c1
InChIInChI=1S/C21H25N3O2/c1-16-8-7-9-17(14-16)26-13-6-5-12-21(25)22-15-20-23-18-10-3-4-11-19(18)24(20)2/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3,(H,22,25)
InChIKeySTDBHMFTSFGEIO-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.75
Rot. Bonds8

About N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide

N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide (PubChem CID 60584238) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide
PubChem CID60584238
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide
SMILESCc1cccc(OCCCCC(=O)NCc2nc3ccccc3n2C)c1
InChIInChI=1S/C21H25N3O2/c1-16-8-7-9-17(14-16)26-13-6-5-12-21(25)22-15-20-23-18-10-3-4-11-19(18)24(20)2/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3,(H,22,25)
InChIKeySTDBHMFTSFGEIO-UHFFFAOYSA-N
XLogP3.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.75
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

N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005993
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
2-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17006889
7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119834811
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970706
2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007843
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972415
2-ethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006406
3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008602
2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide
CID 16981065
2-methyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980848
2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006996

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide (CID 60584238) is N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide is Cc1cccc(OCCCCC(=O)NCc2nc3ccccc3n2C)c1.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide?
The InChIKey is STDBHMFTSFGEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-8-7-9-17(14-16)26-13-6-5-12-21(25)22-15-20-23-18-10-3-4-11-19(18)24(20)2/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3,(H,22,25).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide has a molecular weight of 351.45 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide is sourced from PubChem (CID 60584238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).