N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide

C24H28BrN3O2 — CID 16994487

IUPACN-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1ccc(Br)cc1)C1CCCO1
InChIInChI=1S/C24H28BrN3O2/c25-19-13-11-18(12-14-19)17-28-21-8-4-3-7-20(21)27-23(28)10-2-1-5-15-26-24(29)22-9-6-16-30-22/h3-4,7-8,11-14,22H,1-2,5-6,9-10,15-17H2,(H,26,29)
InChIKeyQXJILMRPGUHGED-UHFFFAOYSA-N
MW470.41 g/mol
LogP4.86
Rot. Bonds9

About N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide

N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide (PubChem CID 16994487) has the molecular formula C24H28BrN3O2 and a molecular weight of 470.41 g/mol. Its IUPAC name is N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
PubChem CID16994487
Molecular FormulaC24H28BrN3O2
Molecular Weight470.41 g/mol
Exact Mass469.14
IUPAC NameN-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1ccc(Br)cc1)C1CCCO1
InChIInChI=1S/C24H28BrN3O2/c25-19-13-11-18(12-14-19)17-28-21-8-4-3-7-20(21)27-23(28)10-2-1-5-15-26-24(29)22-9-6-16-30-22/h3-4,7-8,11-14,22H,1-2,5-6,9-10,15-17H2,(H,26,29)
InChIKeyQXJILMRPGUHGED-UHFFFAOYSA-N
XLogP4.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981804
N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994482
N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981785
N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994501
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981794
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
4-bromo-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991580
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991895
N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981912
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide (CID 16994487) is N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide is O=C(NCCCCCc1nc2ccccc2n1Cc1ccc(Br)cc1)C1CCCO1.
What is the InChIKey of N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide?
The InChIKey is QXJILMRPGUHGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O2/c25-19-13-11-18(12-14-19)17-28-21-8-4-3-7-20(21)27-23(28)10-2-1-5-15-26-24(29)22-9-6-16-30-22/h3-4,7-8,11-14,22H,1-2,5-6,9-10,15-17H2,(H,26,29).
What are the key properties of N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide?
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide has a molecular weight of 470.41 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide is sourced from PubChem (CID 16994487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).