4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide

C27H29N3O2 — CID 16976598

IUPAC4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(OCCCn2c(CCNC(=O)c3ccc(C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H29N3O2/c1-20-8-12-22(13-9-20)27(31)28-17-16-26-29-24-6-3-4-7-25(24)30(26)18-5-19-32-23-14-10-21(2)11-15-23/h3-4,6-15H,5,16-19H2,1-2H3,(H,28,31)
InChIKeyXLHOQFQWCBEGFH-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.09
Rot. Bonds9

About 4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide

4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16976598) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16976598
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(OCCCn2c(CCNC(=O)c3ccc(C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H29N3O2/c1-20-8-12-22(13-9-20)27(31)28-17-16-26-29-24-6-3-4-7-25(24)30(26)18-5-19-32-23-14-10-21(2)11-15-23/h3-4,6-15H,5,16-19H2,1-2H3,(H,28,31)
InChIKeyXLHOQFQWCBEGFH-UHFFFAOYSA-N
XLogP5.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.09
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-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976602
4-bromo-N-[2-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977588
N-[2-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976624
4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991935
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976607
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975801
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
CID 16976514
4-methyl-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16984372
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 16977216
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
4-chloro-N-[2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977241

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (CID 16976598) is 4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is Cc1ccc(OCCCn2c(CCNC(=O)c3ccc(C)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is XLHOQFQWCBEGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-20-8-12-22(13-9-20)27(31)28-17-16-26-29-24-6-3-4-7-25(24)30(26)18-5-19-32-23-14-10-21(2)11-15-23/h3-4,6-15H,5,16-19H2,1-2H3,(H,28,31).
What are the key properties of 4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16976598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).