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

C18H21N3OS — CID 3243597

IUPACN-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCCCCn1c(C(C)NC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C18H21N3OS/c1-3-4-11-21-15-9-6-5-8-14(15)20-17(21)13(2)19-18(22)16-10-7-12-23-16/h5-10,12-13H,3-4,11H2,1-2H3,(H,19,22)
InChIKeyLEMWNGVWPPJAJP-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.39
Rot. Bonds6

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

N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 3243597) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID3243597
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCCCCn1c(C(C)NC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C18H21N3OS/c1-3-4-11-21-15-9-6-5-8-14(15)20-17(21)13(2)19-18(22)16-10-7-12-23-16/h5-10,12-13H,3-4,11H2,1-2H3,(H,19,22)
InChIKeyLEMWNGVWPPJAJP-UHFFFAOYSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973675
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973684
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7007847
N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973627
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375
N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965377
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7025718
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16967636

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide (CID 3243597) is N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide is CCCCn1c(C(C)NC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is LEMWNGVWPPJAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-3-4-11-21-15-9-6-5-8-14(15)20-17(21)13(2)19-18(22)16-10-7-12-23-16/h5-10,12-13H,3-4,11H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3243597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).