N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide

C17H19N3OS — CID 751300

IUPACN-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-2-11-20-14-7-4-3-6-13(14)19-16(20)9-10-18-17(21)15-8-5-12-22-15/h3-8,12H,2,9-11H2,1H3,(H,18,21)
InChIKeyCITVJTDRPBADKR-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.48
Rot. Bonds6

About N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide

N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 751300) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID751300
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-2-11-20-14-7-4-3-6-13(14)19-16(20)9-10-18-17(21)15-8-5-12-22-15/h3-8,12H,2,9-11H2,1H3,(H,18,21)
InChIKeyCITVJTDRPBADKR-UHFFFAOYSA-N
XLogP3.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
CID 16982052
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide
CID 16994788
N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975605
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975607
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975593
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-[2-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975675
N-[3-[1-(2-phenoxyethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982081
N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975589
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994908
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-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide (CID 751300) is N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide is CCCn1c(CCNC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is CITVJTDRPBADKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-2-11-20-14-7-4-3-6-13(14)19-16(20)9-10-18-17(21)15-8-5-12-22-15/h3-8,12H,2,9-11H2,1H3,(H,18,21).
What are the key properties of N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 751300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).