2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

C24H28N4O3S — CID 45179351

IUPAC2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(NC(=O)C2CCCO2)c2c(c1)nc(C1CCC1)n2C
InChIInChI=1S/C24H28N4O3S/c1-27(14-17-8-5-11-32-17)24(30)16-12-18-21(28(2)22(25-18)15-6-3-7-15)19(13-16)26-23(29)20-9-4-10-31-20/h5,8,11-13,15,20H,3-4,6-7,9-10,14H2,1-2H3,(H,26,29)
InChIKeyCPFPAKVNDXJMRT-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.29
Rot. Bonds6

About 2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 45179351) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID45179351
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(NC(=O)C2CCCO2)c2c(c1)nc(C1CCC1)n2C
InChIInChI=1S/C24H28N4O3S/c1-27(14-17-8-5-11-32-17)24(30)16-12-18-21(28(2)22(25-18)15-6-3-7-15)19(13-16)26-23(29)20-9-4-10-31-20/h5,8,11-13,15,20H,3-4,6-7,9-10,14H2,1-2H3,(H,26,29)
InChIKeyCPFPAKVNDXJMRT-UHFFFAOYSA-N
XLogP4.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (CID 45179351) is 2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is CN(Cc1cccs1)C(=O)c1cc(NC(=O)C2CCCO2)c2c(c1)nc(C1CCC1)n2C.
What is the InChIKey of 2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is CPFPAKVNDXJMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-27(14-17-8-5-11-32-17)24(30)16-12-18-21(28(2)22(25-18)15-6-3-7-15)19(13-16)26-23(29)20-9-4-10-31-20/h5,8,11-13,15,20H,3-4,6-7,9-10,14H2,1-2H3,(H,26,29).
What are the key properties of 2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 45179351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).