N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide

C24H23N5O2S — CID 167887271

IUPACN-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)C(=O)NC1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H23N5O2S/c30-22(23(31)29-24-28-20(14-32-24)15-6-2-1-3-7-15)25-17-12-10-16(11-13-17)21-26-18-8-4-5-9-19(18)27-21/h1-9,14,16-17H,10-13H2,(H,25,30)(H,26,27)(H,28,29,31)
InChIKeyLUEHIDWSVXILJA-UHFFFAOYSA-N
MW445.55 g/mol
LogP4.47
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide

N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide (PubChem CID 167887271) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide
PubChem CID167887271
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC NameN-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)C(=O)NC1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H23N5O2S/c30-22(23(31)29-24-28-20(14-32-24)15-6-2-1-3-7-15)25-17-12-10-16(11-13-17)21-26-18-8-4-5-9-19(18)27-21/h1-9,14,16-17H,10-13H2,(H,25,30)(H,26,27)(H,28,29,31)
InChIKeyLUEHIDWSVXILJA-UHFFFAOYSA-N
XLogP4.47
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide (CID 167887271) is N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide is O=C(Nc1nc(-c2ccccc2)cs1)C(=O)NC1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide?
The InChIKey is LUEHIDWSVXILJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c30-22(23(31)29-24-28-20(14-32-24)15-6-2-1-3-7-15)25-17-12-10-16(11-13-17)21-26-18-8-4-5-9-19(18)27-21/h1-9,14,16-17H,10-13H2,(H,25,30)(H,26,27)(H,28,29,31).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide?
N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide has a molecular weight of 445.55 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 167887271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).