2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide

C25H24ClN3O2 — CID 17007460

IUPAC2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1ccc(C)c(OCCn2c(CNC(=O)c3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C25H24ClN3O2/c1-17-11-12-18(2)23(15-17)31-14-13-29-22-10-6-5-9-21(22)28-24(29)16-27-25(30)19-7-3-4-8-20(19)26/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyKETNNHRCQQQHIQ-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.32
Rot. Bonds7

About 2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide

2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007460) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17007460
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1ccc(C)c(OCCn2c(CNC(=O)c3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C25H24ClN3O2/c1-17-11-12-18(2)23(15-17)31-14-13-29-22-10-6-5-9-21(22)28-24(29)16-27-25(30)19-7-3-4-8-20(19)26/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyKETNNHRCQQQHIQ-UHFFFAOYSA-N
XLogP5.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007021
N-[[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007205
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17006993
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006888
2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17006853
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990131
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974430
2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006996
N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006396
2-(4-chlorophenoxy)-N-[[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971175
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976429
N-[3-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966226

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (CID 17007460) is 2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is Cc1ccc(C)c(OCCn2c(CNC(=O)c3ccccc3Cl)nc3ccccc32)c1.
What is the InChIKey of 2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is KETNNHRCQQQHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-17-11-12-18(2)23(15-17)31-14-13-29-22-10-6-5-9-21(22)28-24(29)16-27-25(30)19-7-3-4-8-20(19)26/h3-12,15H,13-14,16H2,1-2H3,(H,27,30).
What are the key properties of 2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 433.94 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).