N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide

C23H26ClN3O3 — CID 16974101

IUPACN-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C23H26ClN3O3/c24-17-9-11-18(12-10-17)29-14-4-3-13-27-20-7-2-1-6-19(20)26-22(27)16-25-23(28)21-8-5-15-30-21/h1-2,6-7,9-12,21H,3-5,8,13-16H2,(H,25,28)
InChIKeyHOMSLOPFCQFLLB-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.34
Rot. Bonds9

About N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide

N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 16974101) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
PubChem CID16974101
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC NameN-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C23H26ClN3O3/c24-17-9-11-18(12-10-17)29-14-4-3-13-27-20-7-2-1-6-19(20)26-22(27)16-25-23(28)21-8-5-15-30-21/h1-2,6-7,9-12,21H,3-5,8,13-16H2,(H,25,28)
InChIKeyHOMSLOPFCQFLLB-UHFFFAOYSA-N
XLogP4.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974054
N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974106
N-[[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974070
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981893
N-[2-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975415
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981841
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974025
N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994501
N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974006
2-(4-chlorophenoxy)-N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971189
N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 17029228

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide (CID 16974101) is N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide is O=C(NCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1)C1CCCO1.
What is the InChIKey of N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is HOMSLOPFCQFLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c24-17-9-11-18(12-10-17)29-14-4-3-13-27-20-7-2-1-6-19(20)26-22(27)16-25-23(28)21-8-5-15-30-21/h1-2,6-7,9-12,21H,3-5,8,13-16H2,(H,25,28).
What are the key properties of N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 427.93 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 16974101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).