N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide

C27H39N3OS — CID 16982052

IUPACN-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
SMILESCCCCCCCCCCCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C27H39N3OS/c1-2-3-4-5-6-7-8-9-10-13-21-30-24-17-12-11-16-23(24)29-26(30)19-14-20-28-27(31)25-18-15-22-32-25/h11-12,15-18,22H,2-10,13-14,19-21H2,1H3,(H,28,31)
InChIKeyAYSMYBSNGYZOIQ-UHFFFAOYSA-N
MW453.70 g/mol
LogP7.38
Rot. Bonds16

About N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide

N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide (PubChem CID 16982052) has the molecular formula C27H39N3OS and a molecular weight of 453.70 g/mol. Its IUPAC name is N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
PubChem CID16982052
Molecular FormulaC27H39N3OS
Molecular Weight453.70 g/mol
Exact Mass453.28
IUPAC NameN-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
SMILESCCCCCCCCCCCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C27H39N3OS/c1-2-3-4-5-6-7-8-9-10-13-21-30-24-17-12-11-16-23(24)29-26(30)19-14-20-28-27(31)25-18-15-22-32-25/h11-12,15-18,22H,2-10,13-14,19-21H2,1H3,(H,28,31)
InChIKeyAYSMYBSNGYZOIQ-UHFFFAOYSA-N
XLogP7.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.70
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide
CID 16994788
N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 751300
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
N-[3-[1-(2-phenoxyethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982081
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975605
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994908
N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982149
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982120
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994844
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide (CID 16982052) is N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide is CCCCCCCCCCCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide?
The InChIKey is AYSMYBSNGYZOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3OS/c1-2-3-4-5-6-7-8-9-10-13-21-30-24-17-12-11-16-23(24)29-26(30)19-14-20-28-27(31)25-18-15-22-32-25/h11-12,15-18,22H,2-10,13-14,19-21H2,1H3,(H,28,31).
What are the key properties of N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide?
N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide has a molecular weight of 453.70 g/mol, XLogP of 7.38, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 16982052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).