N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide

C29H33N3O2 — CID 16989356

IUPACN-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCc1cccc(OCCCn2c(CCCCCNC(=O)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C29H33N3O2/c1-23-12-10-15-25(22-23)34-21-11-20-32-27-17-8-7-16-26(27)31-28(32)18-6-3-9-19-30-29(33)24-13-4-2-5-14-24/h2,4-5,7-8,10,12-17,22H,3,6,9,11,18-21H2,1H3,(H,30,33)
InChIKeyCVBVSLGELHIYJA-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.96
Rot. Bonds12

About N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide

N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989356) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound NameN-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
PubChem CID16989356
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCc1cccc(OCCCn2c(CCCCCNC(=O)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C29H33N3O2/c1-23-12-10-15-25(22-23)34-21-11-20-32-27-17-8-7-16-26(27)31-28(32)18-6-3-9-19-30-29(33)24-13-4-2-5-14-24/h2,4-5,7-8,10,12-17,22H,3,6,9,11,18-21H2,1H3,(H,30,33)
InChIKeyCVBVSLGELHIYJA-UHFFFAOYSA-N
XLogP5.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.96
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

3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990344
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990335
4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991935
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992920
2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989680
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964479
N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990313
4-bromo-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991626
3-methoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978144
N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987872
3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990820
3-chloro-N-[5-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990522

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989356) is N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide is Cc1cccc(OCCCn2c(CCCCCNC(=O)c3ccccc3)nc3ccccc32)c1.
What is the InChIKey of N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is CVBVSLGELHIYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-23-12-10-15-25(22-23)34-21-11-20-32-27-17-8-7-16-26(27)31-28(32)18-6-3-9-19-30-29(33)24-13-4-2-5-14-24/h2,4-5,7-8,10,12-17,22H,3,6,9,11,18-21H2,1H3,(H,30,33).
What are the key properties of N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 5.96, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).