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

C22H26N4O3S — CID 10224336

IUPACN-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCO)C1CCCCC1
InChIInChI=1S/C22H26N4O3S/c1-25(16-6-3-2-4-7-16)21(29)15-9-10-18-17(14-15)23-22(26(18)11-12-27)24-20(28)19-8-5-13-30-19/h5,8-10,13-14,16,27H,2-4,6-7,11-12H2,1H3,(H,23,24,28)
InChIKeyNABMXRNHLTVSKG-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.75
Rot. Bonds6

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

N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 10224336) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
PubChem CID10224336
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCO)C1CCCCC1
InChIInChI=1S/C22H26N4O3S/c1-25(16-6-3-2-4-7-16)21(29)15-9-10-18-17(14-15)23-22(26(18)11-12-27)24-20(28)19-8-5-13-30-19/h5,8-10,13-14,16,27H,2-4,6-7,11-12H2,1H3,(H,23,24,28)
InChIKeyNABMXRNHLTVSKG-UHFFFAOYSA-N
XLogP3.75
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (CID 10224336) is N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is NABMXRNHLTVSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-25(16-6-3-2-4-7-16)21(29)15-9-10-18-17(14-15)23-22(26(18)11-12-27)24-20(28)19-8-5-13-30-19/h5,8-10,13-14,16,27H,2-4,6-7,11-12H2,1H3,(H,23,24,28).
What are the key properties of N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 10224336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).