2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide

C21H25N3O — CID 17006783

IUPAC2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCCn1c(CNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C21H25N3O/c1-3-4-9-14-24-19-13-8-7-12-18(19)23-20(24)15-22-21(25)17-11-6-5-10-16(17)2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,22,25)
InChIKeyPQYVKSUBQUORSH-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.46
Rot. Bonds7

About 2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide

2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 17006783) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
PubChem CID17006783
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCCn1c(CNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C21H25N3O/c1-3-4-9-14-24-19-13-8-7-12-18(19)23-20(24)15-22-21(25)17-11-6-5-10-16(17)2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,22,25)
InChIKeyPQYVKSUBQUORSH-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.46
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

N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
CID 17006780
2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide
CID 17006948
2-fluoro-N-[(1-hexadecylbenzimidazol-2-yl)methyl]benzamide
CID 17007744
N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006880
2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17006775
4-methyl-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007109
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
CID 17007112
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006888
N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029387
ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17006923
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
2-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17006889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide (CID 17006783) is 2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide is CCCCCn1c(CNC(=O)c2ccccc2C)nc2ccccc21.
What is the InChIKey of 2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is PQYVKSUBQUORSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-4-9-14-24-19-13-8-7-12-18(19)23-20(24)15-22-21(25)17-11-6-5-10-16(17)2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,22,25).
What are the key properties of 2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide?
2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 335.45 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 17006783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).