4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide

C25H24ClN3O2 — CID 16977185

IUPAC4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(OCCn2c(CCNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C25H24ClN3O2/c1-18-6-12-21(13-7-18)31-17-16-29-23-5-3-2-4-22(23)28-24(29)14-15-27-25(30)19-8-10-20(26)11-9-19/h2-13H,14-17H2,1H3,(H,27,30)
InChIKeyMVSOAHHJAIKPGZ-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.05
Rot. Bonds8

About 4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide

4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16977185) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16977185
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(OCCn2c(CCNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C25H24ClN3O2/c1-18-6-12-21(13-7-18)31-17-16-29-23-5-3-2-4-22(23)28-24(29)14-15-27-25(30)19-8-10-20(26)11-9-19/h2-13H,14-17H2,1H3,(H,27,30)
InChIKeyMVSOAHHJAIKPGZ-UHFFFAOYSA-N
XLogP5.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mchb-1
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4-{(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexylethoxy}benzoic Acid
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CID 4754175
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CID 24863434
2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 44561005
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}-1-propanone hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16977185) is 4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is Cc1ccc(OCCn2c(CCNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is MVSOAHHJAIKPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-18-6-12-21(13-7-18)31-17-16-29-23-5-3-2-4-22(23)28-24(29)14-15-27-25(30)19-8-10-20(26)11-9-19/h2-13H,14-17H2,1H3,(H,27,30).
What are the key properties of 4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 433.94 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16977185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).