N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

C23H23N3OS — CID 16975605

IUPACN-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1CCCc1ccccc1)c1cccs1
InChIInChI=1S/C23H23N3OS/c27-23(21-13-7-17-28-21)24-15-14-22-25-19-11-4-5-12-20(19)26(22)16-6-10-18-8-2-1-3-9-18/h1-5,7-9,11-13,17H,6,10,14-16H2,(H,24,27)
InChIKeyLIKQDHVUJYFFTG-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.70
Rot. Bonds8

About N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 16975605) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID16975605
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC NameN-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1CCCc1ccccc1)c1cccs1
InChIInChI=1S/C23H23N3OS/c27-23(21-13-7-17-28-21)24-15-14-22-25-19-11-4-5-12-20(19)26(22)16-6-10-18-8-2-1-3-9-18/h1-5,7-9,11-13,17H,6,10,14-16H2,(H,24,27)
InChIKeyLIKQDHVUJYFFTG-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 751300
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975607
N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
CID 16982052
N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975651
N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975660
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide
CID 16994788
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975593
N-[3-[1-(2-phenoxyethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982081
N-[2-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975675
2-methyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980409
2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976389
N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975668

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (CID 16975605) is N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is O=C(NCCc1nc2ccccc2n1CCCc1ccccc1)c1cccs1.
What is the InChIKey of N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is LIKQDHVUJYFFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c27-23(21-13-7-17-28-21)24-15-14-22-25-19-11-4-5-12-20(19)26(22)16-6-10-18-8-2-1-3-9-18/h1-5,7-9,11-13,17H,6,10,14-16H2,(H,24,27).
What are the key properties of N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 16975605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).