N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

C23H28N4O3S — CID 10160476

IUPACN-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCO)C1CCCCC1
InChIInChI=1S/C23H28N4O3S/c1-26(17-7-3-2-4-8-17)22(30)16-10-11-19-18(15-16)24-23(27(19)12-6-13-28)25-21(29)20-9-5-14-31-20/h5,9-11,14-15,17,28H,2-4,6-8,12-13H2,1H3,(H,24,25,29)
InChIKeyIVYRBVOBDZPTIK-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.14
Rot. Bonds7

About N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 10160476) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
PubChem CID10160476
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCO)C1CCCCC1
InChIInChI=1S/C23H28N4O3S/c1-26(17-7-3-2-4-8-17)22(30)16-10-11-19-18(15-16)24-23(27(19)12-6-13-28)25-21(29)20-9-5-14-31-20/h5,9-11,14-15,17,28H,2-4,6-8,12-13H2,1H3,(H,24,25,29)
InChIKeyIVYRBVOBDZPTIK-UHFFFAOYSA-N
XLogP4.14
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (CID 10160476) is N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is IVYRBVOBDZPTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-26(17-7-3-2-4-8-17)22(30)16-10-11-19-18(15-16)24-23(27(19)12-6-13-28)25-21(29)20-9-5-14-31-20/h5,9-11,14-15,17,28H,2-4,6-8,12-13H2,1H3,(H,24,25,29).
What are the key properties of N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 10160476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).