3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide

C29H33N3O6 — CID 17008633

IUPAC3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1cccc(OCCCCn2c(CNC(=O)c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)c1
InChIInChI=1S/C29H33N3O6/c1-34-21-10-9-11-22(18-21)38-15-8-7-14-32-24-13-6-5-12-23(24)31-27(32)19-30-29(33)20-16-25(35-2)28(37-4)26(17-20)36-3/h5-6,9-13,16-18H,7-8,14-15,19H2,1-4H3,(H,30,33)
InChIKeyHMGRIUOUIKNAIV-UHFFFAOYSA-N
MW519.60 g/mol
LogP4.86
Rot. Bonds13

About 3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide

3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008633) has the molecular formula C29H33N3O6 and a molecular weight of 519.60 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17008633
Molecular FormulaC29H33N3O6
Molecular Weight519.60 g/mol
Exact Mass519.24
IUPAC Name3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1cccc(OCCCCn2c(CNC(=O)c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)c1
InChIInChI=1S/C29H33N3O6/c1-34-21-10-9-11-22(18-21)38-15-8-7-14-32-24-13-6-5-12-23(24)31-27(32)19-30-29(33)20-16-25(35-2)28(37-4)26(17-20)36-3/h5-6,9-13,16-18H,7-8,14-15,19H2,1-4H3,(H,30,33)
InChIKeyHMGRIUOUIKNAIV-UHFFFAOYSA-N
XLogP4.86
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008602
3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008563
3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 5078150
4-methoxy-N-[[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008749
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006891
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973840
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17008010
3,4,5-trimethoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977057
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
3-methoxy-N-[[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008013
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 16977064

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (CID 17008633) is 3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is COc1cccc(OCCCCn2c(CNC(=O)c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is HMGRIUOUIKNAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O6/c1-34-21-10-9-11-22(18-21)38-15-8-7-14-32-24-13-6-5-12-23(24)31-27(32)19-30-29(33)20-16-25(35-2)28(37-4)26(17-20)36-3/h5-6,9-13,16-18H,7-8,14-15,19H2,1-4H3,(H,30,33).
What are the key properties of 3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 519.60 g/mol, XLogP of 4.86, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).