N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide

C25H24ClN3O2 — CID 17006686

IUPACN-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cc(OCCn2c(CNC(=O)c3ccccc3)nc3ccccc32)cc(C)c1Cl
InChIInChI=1S/C25H24ClN3O2/c1-17-14-20(15-18(2)24(17)26)31-13-12-29-22-11-7-6-10-21(22)28-23(29)16-27-25(30)19-8-4-3-5-9-19/h3-11,14-15H,12-13,16H2,1-2H3,(H,27,30)
InChIKeyDORSDOCZCJCMMR-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.32
Rot. Bonds7

About N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide

N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17006686) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17006686
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC NameN-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cc(OCCn2c(CNC(=O)c3ccccc3)nc3ccccc32)cc(C)c1Cl
InChIInChI=1S/C25H24ClN3O2/c1-17-14-20(15-18(2)24(17)26)31-13-12-29-22-11-7-6-10-21(22)28-23(29)16-27-25(30)19-8-4-3-5-9-19/h3-11,14-15H,12-13,16H2,1-2H3,(H,27,30)
InChIKeyDORSDOCZCJCMMR-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

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Related Compounds

N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007160
3-chloro-N-[[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008370
N-[5-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989332
4-chloro-N-[3-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984640
N-[3-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984338
4-methoxy-N-[[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008749
N-[[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008426
3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007320
N-[[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007335
3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008563
N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965643
N-[[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974070

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (CID 17006686) is N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is Cc1cc(OCCn2c(CNC(=O)c3ccccc3)nc3ccccc32)cc(C)c1Cl.
What is the InChIKey of N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is DORSDOCZCJCMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-17-14-20(15-18(2)24(17)26)31-13-12-29-22-11-7-6-10-21(22)28-23(29)16-27-25(30)19-8-4-3-5-9-19/h3-11,14-15H,12-13,16H2,1-2H3,(H,27,30).
What are the key properties of N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
N-[[1-[2-(4-chloro-3,5-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 N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17006686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).