4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide

C15H15N3OS — CID 155230876

IUPAC4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCCCc1nc2ccccc2n1-c1csc(C(N)=O)c1
InChIInChI=1S/C15H15N3OS/c1-2-5-14-17-11-6-3-4-7-12(11)18(14)10-8-13(15(16)19)20-9-10/h3-4,6-9H,2,5H2,1H3,(H2,16,19)
InChIKeyUVBKFLLMIOYMHL-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.14
Rot. Bonds4

About 4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide

4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 155230876) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID155230876
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCCCc1nc2ccccc2n1-c1csc(C(N)=O)c1
InChIInChI=1S/C15H15N3OS/c1-2-5-14-17-11-6-3-4-7-12(11)18(14)10-8-13(15(16)19)20-9-10/h3-4,6-9H,2,5H2,1H3,(H2,16,19)
InChIKeyUVBKFLLMIOYMHL-UHFFFAOYSA-N
XLogP3.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-hexylbenzimidazol-1-yl)thiophene-2-carboxylate
CID 155230917
ethyl 4-(2-heptadecylbenzimidazol-1-yl)thiophene-2-carboxylate
CID 155230937
ethyl 4-(2-tridecylbenzimidazol-1-yl)thiophene-2-carboxylate
CID 155230889
4-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 50970159
1-phenyl-2-tridecylbenzimidazole
CID 24821367
2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanamide
CID 115970917
1-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole
CID 87412328
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
ethyl 2-[4-(2-ethylbenzimidazol-1-yl)phenyl]propanoate
CID 91163967
ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
CID 160887882
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443

Frequently Asked Questions

What is the IUPAC name of 4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of 4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide (CID 155230876) is 4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide is CCCc1nc2ccccc2n1-c1csc(C(N)=O)c1.
What is the InChIKey of 4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is UVBKFLLMIOYMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-5-14-17-11-6-3-4-7-12(11)18(14)10-8-13(15(16)19)20-9-10/h3-4,6-9H,2,5H2,1H3,(H2,16,19).
What are the key properties of 4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide?
4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 155230876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).