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

C28H31N3O4 — CID 16983949

IUPAC3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1cc(C(=O)NCCCc2nc3ccccc3n2Cc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C28H31N3O4/c1-19-9-7-10-20(15-19)18-31-23-12-6-5-11-22(23)30-26(31)13-8-14-29-28(32)21-16-24(33-2)27(35-4)25(17-21)34-3/h5-7,9-12,15-17H,8,13-14,18H2,1-4H3,(H,29,32)
InChIKeyCINHQDMUYGTMAN-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.78
Rot. Bonds10

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

3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16983949) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16983949
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1cc(C(=O)NCCCc2nc3ccccc3n2Cc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C28H31N3O4/c1-19-9-7-10-20(15-19)18-31-23-12-6-5-11-22(23)30-26(31)13-8-14-29-28(32)21-16-24(33-2)27(35-4)25(17-21)34-3/h5-7,9-12,15-17H,8,13-14,18H2,1-4H3,(H,29,32)
InChIKeyCINHQDMUYGTMAN-UHFFFAOYSA-N
XLogP4.78
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16983959
N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3,4,5-trimethoxybenzamide
CID 16991086
3,4,5-trimethoxy-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991076
3,4,5-trimethoxy-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991095
N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide
CID 16983942
3,4,5-trimethoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977057
4-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976528
3,4,5-trimethoxy-N-[3-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16984033
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16984078
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3,4,5-trimethoxybenzamide
CID 16991103
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 4656833
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-3,4-dimethoxybenzamide
CID 16990908

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide (CID 16983949) is 3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide is COc1cc(C(=O)NCCCc2nc3ccccc3n2Cc2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is CINHQDMUYGTMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-19-9-7-10-20(15-19)18-31-23-12-6-5-11-22(23)30-26(31)13-8-14-29-28(32)21-16-24(33-2)27(35-4)25(17-21)34-3/h5-7,9-12,15-17H,8,13-14,18H2,1-4H3,(H,29,32).
What are the key properties of 3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 473.57 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16983949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).