2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide

C28H31N3O2 — CID 16990100

IUPAC2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C28H31N3O2/c1-21-12-5-6-13-22(21)20-31-25-16-9-8-15-24(25)30-27(31)18-4-3-11-19-29-28(32)23-14-7-10-17-26(23)33-2/h5-10,12-17H,3-4,11,18-20H2,1-2H3,(H,29,32)
InChIKeyXTXSFBRQZZFZCK-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.54
Rot. Bonds10

About 2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide

2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16990100) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
PubChem CID16990100
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C28H31N3O2/c1-21-12-5-6-13-22(21)20-31-25-16-9-8-15-24(25)30-27(31)18-4-3-11-19-29-28(32)23-14-7-10-17-26(23)33-2/h5-10,12-17H,3-4,11,18-20H2,1-2H3,(H,29,32)
InChIKeyXTXSFBRQZZFZCK-UHFFFAOYSA-N
XLogP5.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.54
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-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975906
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide
CID 16990090
2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990094
2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990191
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990131
2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983003
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993340
N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988661
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982855
4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991253
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982927

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide (CID 16990100) is 2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide is COc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1Cc1ccccc1C.
What is the InChIKey of 2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is XTXSFBRQZZFZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-21-12-5-6-13-22(21)20-31-25-16-9-8-15-24(25)30-27(31)18-4-3-11-19-29-28(32)23-14-7-10-17-26(23)33-2/h5-10,12-17H,3-4,11,18-20H2,1-2H3,(H,29,32).
What are the key properties of 2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 441.58 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16990100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).