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

C29H33N3O3 — CID 16990932

IUPAC3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C29H33N3O3/c1-21-12-14-22(15-13-21)20-32-25-10-7-6-9-24(25)31-28(32)11-5-4-8-18-30-29(33)23-16-17-26(34-2)27(19-23)35-3/h6-7,9-10,12-17,19H,4-5,8,11,18,20H2,1-3H3,(H,30,33)
InChIKeyJWJZMXGXAGWZIC-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.55
Rot. Bonds11

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

3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16990932) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
PubChem CID16990932
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C29H33N3O3/c1-21-12-14-22(15-13-21)20-32-25-10-7-6-9-24(25)31-28(32)11-5-4-8-18-30-29(33)23-16-17-26(34-2)27(19-23)35-3/h6-7,9-10,12-17,19H,4-5,8,11,18,20H2,1-3H3,(H,30,33)
InChIKeyJWJZMXGXAGWZIC-UHFFFAOYSA-N
XLogP5.55
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-3,4-dimethoxybenzamide
CID 16990908
N-[5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990920
3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990931
N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983804
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990926
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 4656833
3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990890
N-[5-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990919
N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990997
3,4-dimethoxy-N-[5-(1-phenacylbenzimidazol-2-yl)pentyl]benzamide
CID 16991042
4-bromo-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991580
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991895

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide (CID 16990932) is 3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide is COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is JWJZMXGXAGWZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-21-12-14-22(15-13-21)20-32-25-10-7-6-9-24(25)31-28(32)11-5-4-8-18-30-29(33)23-16-17-26(34-2)27(19-23)35-3/h6-7,9-10,12-17,19H,4-5,8,11,18,20H2,1-3H3,(H,30,33).
What are the key properties of 3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 471.60 g/mol, XLogP of 5.55, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16990932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).