N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide

C26H33N3O2 — CID 16981794

IUPACN-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
SMILESCc1cc(C)c(C)c(Cn2c(CCCNC(=O)C3CCCO3)nc3ccccc32)c1C
InChIInChI=1S/C26H33N3O2/c1-17-15-18(2)20(4)21(19(17)3)16-29-23-10-6-5-9-22(23)28-25(29)12-7-13-27-26(30)24-11-8-14-31-24/h5-6,9-10,15,24H,7-8,11-14,16H2,1-4H3,(H,27,30)
InChIKeyAYESUCFPGQTAQZ-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.55
Rot. Bonds7

About N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide

N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide (PubChem CID 16981794) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
PubChem CID16981794
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
SMILESCc1cc(C)c(C)c(Cn2c(CCCNC(=O)C3CCCO3)nc3ccccc32)c1C
InChIInChI=1S/C26H33N3O2/c1-17-15-18(2)20(4)21(19(17)3)16-29-23-10-6-5-9-22(23)28-25(29)12-7-13-27-26(30)24-11-8-14-31-24/h5-6,9-10,15,24H,7-8,11-14,16H2,1-4H3,(H,27,30)
InChIKeyAYESUCFPGQTAQZ-UHFFFAOYSA-N
XLogP4.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981804
N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981785
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 17031223
N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981874
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981845
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982208
N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981912
N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994482
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994487
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994547
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981841

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide (CID 16981794) is N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide is Cc1cc(C)c(C)c(Cn2c(CCCNC(=O)C3CCCO3)nc3ccccc32)c1C.
What is the InChIKey of N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide?
The InChIKey is AYESUCFPGQTAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-17-15-18(2)20(4)21(19(17)3)16-29-23-10-6-5-9-22(23)28-25(29)12-7-13-27-26(30)24-11-8-14-31-24/h5-6,9-10,15,24H,7-8,11-14,16H2,1-4H3,(H,27,30).
What are the key properties of N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide?
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide is sourced from PubChem (CID 16981794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).