5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid

C18H19N3O3S — CID 119186029

IUPAC5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)s1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C18H19N3O3S/c1-10(2)21-13-7-5-4-6-12(13)20-16(21)11(3)19-17(22)14-8-9-15(25-14)18(23)24/h4-11H,1-3H3,(H,19,22)(H,23,24)
InChIKeyWFVPZVFRJBGRTB-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.87
Rot. Bonds5

About 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid

5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 119186029) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID119186029
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)s1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C18H19N3O3S/c1-10(2)21-13-7-5-4-6-12(13)20-16(21)11(3)19-17(22)14-8-9-15(25-14)18(23)24/h4-11H,1-3H3,(H,19,22)(H,23,24)
InChIKeyWFVPZVFRJBGRTB-UHFFFAOYSA-N
XLogP3.87
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
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N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide
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5-(4-chlorophenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
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3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
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2-(4-chlorophenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
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3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 99809255
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
(2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid (CID 119186029) is 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid is CC(NC(=O)c1ccc(C(=O)O)s1)c1nc2ccccc2n1C(C)C.
What is the InChIKey of 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is WFVPZVFRJBGRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-10(2)21-13-7-5-4-6-12(13)20-16(21)11(3)19-17(22)14-8-9-15(25-14)18(23)24/h4-11H,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid?
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 357.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119186029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).