N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide

C26H26ClN3O3 — CID 17008010

IUPACN-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C26H26ClN3O3/c1-32-22-8-6-7-19(17-22)26(31)28-18-25-29-23-9-2-3-10-24(23)30(25)15-4-5-16-33-21-13-11-20(27)12-14-21/h2-3,6-14,17H,4-5,15-16,18H2,1H3,(H,28,31)
InChIKeyFODUEBJRJBTBFM-UHFFFAOYSA-N
MW463.97 g/mol
LogP5.49
Rot. Bonds10

About N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide

N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide (PubChem CID 17008010) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
PubChem CID17008010
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC NameN-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C26H26ClN3O3/c1-32-22-8-6-7-19(17-22)26(31)28-18-25-29-23-9-2-3-10-24(23)30(25)15-4-5-16-33-21-13-11-20(27)12-14-21/h2-3,6-14,17H,4-5,15-16,18H2,1H3,(H,28,31)
InChIKeyFODUEBJRJBTBFM-UHFFFAOYSA-N
XLogP5.49
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 55.49
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

3-methoxy-N-[[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008013
3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008310
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964027
3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007901
2-(4-chlorophenoxy)-N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971189
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17007958
3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007935
4-methoxy-N-[[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008749
3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008633
N-[[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17009076
4-chloro-N-[2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977241
3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007320

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide (CID 17008010) is N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide?
The InChIKey is FODUEBJRJBTBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-32-22-8-6-7-19(17-22)26(31)28-18-25-29-23-9-2-3-10-24(23)30(25)15-4-5-16-33-21-13-11-20(27)12-14-21/h2-3,6-14,17H,4-5,15-16,18H2,1H3,(H,28,31).
What are the key properties of N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide?
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide has a molecular weight of 463.97 g/mol, XLogP of 5.49, 10 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]-3-methoxybenzamide is sourced from PubChem (CID 17008010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).