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

C26H26ClN3O2 — CID 17006888

IUPACN-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1nc2ccccc2n1CCCCOc1ccccc1Cl
InChIInChI=1S/C26H26ClN3O2/c1-19-10-2-3-11-20(19)26(31)28-18-25-29-22-13-5-6-14-23(22)30(25)16-8-9-17-32-24-15-7-4-12-21(24)27/h2-7,10-15H,8-9,16-18H2,1H3,(H,28,31)
InChIKeyLUNLIVMZEMZORG-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.79
Rot. Bonds9

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

N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide (PubChem CID 17006888) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
PubChem CID17006888
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC NameN-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1nc2ccccc2n1CCCCOc1ccccc1Cl
InChIInChI=1S/C26H26ClN3O2/c1-19-10-2-3-11-20(19)26(31)28-18-25-29-22-13-5-6-14-23(22)30(25)16-8-9-17-32-24-15-7-4-12-21(24)27/h2-7,10-15H,8-9,16-18H2,1H3,(H,28,31)
InChIKeyLUNLIVMZEMZORG-UHFFFAOYSA-N
XLogP5.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.79
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-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007021
N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006880
N-[2-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979182
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965641
N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
CID 17006780
2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 17006783
2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17006853
2-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17006889
2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007460
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006891
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976429
4-bromo-N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17009226

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide (CID 17006888) is N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1nc2ccccc2n1CCCCOc1ccccc1Cl.
What is the InChIKey of N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide?
The InChIKey is LUNLIVMZEMZORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-19-10-2-3-11-20(19)26(31)28-18-25-29-22-13-5-6-14-23(22)30(25)16-8-9-17-32-24-15-7-4-12-21(24)27/h2-7,10-15H,8-9,16-18H2,1H3,(H,28,31).
What are the key properties of N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide?
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide has a molecular weight of 447.97 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 17006888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).