4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid

C24H28N4O4S — CID 10195437

IUPAC4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCC(=O)O)C1CCCCC1
InChIInChI=1S/C24H28N4O4S/c1-27(17-7-3-2-4-8-17)23(32)16-11-12-19-18(15-16)25-24(28(19)13-5-10-21(29)30)26-22(31)20-9-6-14-33-20/h6,9,11-12,14-15,17H,2-5,7-8,10,13H2,1H3,(H,29,30)(H,25,26,31)
InChIKeyHNKXIVJUNDEEJA-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.62
Rot. Bonds8

About 4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid

4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid (PubChem CID 10195437) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid
PubChem CID10195437
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCC(=O)O)C1CCCCC1
InChIInChI=1S/C24H28N4O4S/c1-27(17-7-3-2-4-8-17)23(32)16-11-12-19-18(15-16)25-24(28(19)13-5-10-21(29)30)26-22(31)20-9-6-14-33-20/h6,9,11-12,14-15,17H,2-5,7-8,10,13H2,1H3,(H,29,30)(H,25,26,31)
InChIKeyHNKXIVJUNDEEJA-UHFFFAOYSA-N
XLogP4.62
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid (CID 10195437) is 4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCC(=O)O)C1CCCCC1.
What is the InChIKey of 4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid?
The InChIKey is HNKXIVJUNDEEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-27(17-7-3-2-4-8-17)23(32)16-11-12-19-18(15-16)25-24(28(19)13-5-10-21(29)30)26-22(31)20-9-6-14-33-20/h6,9,11-12,14-15,17H,2-5,7-8,10,13H2,1H3,(H,29,30)(H,25,26,31).
What are the key properties of 4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid?
4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid has a molecular weight of 468.58 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid is sourced from PubChem (CID 10195437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).