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

C24H33N3OS — CID 16994788

IUPACN-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide
SMILESCCCCCCCn1c(CCCCCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C24H33N3OS/c1-2-3-4-5-11-18-27-21-14-9-8-13-20(21)26-23(27)16-7-6-10-17-25-24(28)22-15-12-19-29-22/h8-9,12-15,19H,2-7,10-11,16-18H2,1H3,(H,25,28)
InChIKeyPRIJQBVJIJQLBY-UHFFFAOYSA-N
MW411.62 g/mol
LogP6.21
Rot. Bonds13

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

N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide (PubChem CID 16994788) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide
PubChem CID16994788
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC NameN-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide
SMILESCCCCCCCn1c(CCCCCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C24H33N3OS/c1-2-3-4-5-11-18-27-21-14-9-8-13-20(21)26-23(27)16-7-6-10-17-25-24(28)22-15-12-19-29-22/h8-9,12-15,19H,2-7,10-11,16-18H2,1H3,(H,25,28)
InChIKeyPRIJQBVJIJQLBY-UHFFFAOYSA-N
XLogP6.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 56.21
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

N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
CID 16982052
N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 751300
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994908
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994844
N-[5-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994877
N-[5-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994853
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994883
N-[5-[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994935
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975605
N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994838

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide (CID 16994788) is N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide is CCCCCCCn1c(CCCCCNC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide?
The InChIKey is PRIJQBVJIJQLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3OS/c1-2-3-4-5-11-18-27-21-14-9-8-13-20(21)26-23(27)16-7-6-10-17-25-24(28)22-15-12-19-29-22/h8-9,12-15,19H,2-7,10-11,16-18H2,1H3,(H,25,28).
What are the key properties of N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide?
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide has a molecular weight of 411.62 g/mol, XLogP of 6.21, 13 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]thiophene-2-carboxamide is sourced from PubChem (CID 16994788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).