N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide

C27H37N3O2 — CID 16990090

IUPACN-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide
SMILESCCCCCCCn1c(CCCCCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C27H37N3O2/c1-3-4-5-6-14-21-30-24-17-11-10-16-23(24)29-26(30)19-8-7-13-20-28-27(31)22-15-9-12-18-25(22)32-2/h9-12,15-18H,3-8,13-14,19-21H2,1-2H3,(H,28,31)
InChIKeyMLMXQZMOOICJOA-UHFFFAOYSA-N
MW435.61 g/mol
LogP6.16
Rot. Bonds14

About N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide

N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide (PubChem CID 16990090) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide
PubChem CID16990090
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC NameN-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide
SMILESCCCCCCCn1c(CCCCCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C27H37N3O2/c1-3-4-5-6-14-21-30-24-17-11-10-16-23(24)29-26(30)19-8-7-13-20-28-27(31)22-15-9-12-18-25(22)32-2/h9-12,15-18H,3-8,13-14,19-21H2,1-2H3,(H,28,31)
InChIKeyMLMXQZMOOICJOA-UHFFFAOYSA-N
XLogP6.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 56.16
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

2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990094
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
CID 4753688
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990191
2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990100
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990124
N-[5-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990175
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990131
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608
2-(3,4-dimethoxyphenyl)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide
CID 16994142

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide?
The IUPAC name of N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide (CID 16990090) is N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide?
The canonical SMILES for N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide is CCCCCCCn1c(CCCCCNC(=O)c2ccccc2OC)nc2ccccc21.
What is the InChIKey of N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide?
The InChIKey is MLMXQZMOOICJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-3-4-5-6-14-21-30-24-17-11-10-16-23(24)29-26(30)19-8-7-13-20-28-27(31)22-15-9-12-18-25(22)32-2/h9-12,15-18H,3-8,13-14,19-21H2,1-2H3,(H,28,31).
What are the key properties of N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide?
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide has a molecular weight of 435.61 g/mol, XLogP of 6.16, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide is sourced from PubChem (CID 16990090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).