1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

C25H31N5O3S — CID 10195646

IUPAC1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCC(N)=O)C1CCCCC1
InChIInChI=1S/C25H31N5O3S/c1-29(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)27-25(28-23(32)21-10-7-15-34-21)30(20)14-6-5-11-22(26)31/h7,10,12-13,15-16,18H,2-6,8-9,11,14H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeyXUYIOELVCRUWKB-UHFFFAOYSA-N
MW481.62 g/mol
LogP4.41
Rot. Bonds9

About 1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 10195646) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is 1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
PubChem CID10195646
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC Name1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCC(N)=O)C1CCCCC1
InChIInChI=1S/C25H31N5O3S/c1-29(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)27-25(28-23(32)21-10-7-15-34-21)30(20)14-6-5-11-22(26)31/h7,10,12-13,15-16,18H,2-6,8-9,11,14H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeyXUYIOELVCRUWKB-UHFFFAOYSA-N
XLogP4.41
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of 1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (CID 10195646) is 1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCC(N)=O)C1CCCCC1.
What is the InChIKey of 1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is XUYIOELVCRUWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-29(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)27-25(28-23(32)21-10-7-15-34-21)30(20)14-6-5-11-22(26)31/h7,10,12-13,15-16,18H,2-6,8-9,11,14H2,1H3,(H2,26,31)(H,27,28,32).
What are the key properties of 1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 10195646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).