N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide

C25H23Cl2N3O3 — CID 26025328

IUPACN-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1C[C@H](O)COc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C25H23Cl2N3O3/c26-18-10-11-20(27)23(14-18)33-16-19(31)15-30-22-9-5-4-8-21(22)29-24(30)12-13-28-25(32)17-6-2-1-3-7-17/h1-11,14,19,31H,12-13,15-16H2,(H,28,32)/t19-/m0/s1
InChIKeyIZBLWSZGCKMGGJ-IBGZPJMESA-N
MW484.38 g/mol
LogP4.76
Rot. Bonds9

About N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide

N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 26025328) has the molecular formula C25H23Cl2N3O3 and a molecular weight of 484.38 g/mol. Its IUPAC name is N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID26025328
Molecular FormulaC25H23Cl2N3O3
Molecular Weight484.38 g/mol
Exact Mass483.11
IUPAC NameN-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1C[C@H](O)COc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C25H23Cl2N3O3/c26-18-10-11-20(27)23(14-18)33-16-19(31)15-30-22-9-5-4-8-21(22)29-24(30)12-13-28-25(32)17-6-2-1-3-7-17/h1-11,14,19,31H,12-13,15-16H2,(H,28,32)/t19-/m0/s1
InChIKeyIZBLWSZGCKMGGJ-IBGZPJMESA-N
XLogP4.76
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide
CID 26025289
N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 85452280
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975738
3-chloro-N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977955
N-[[1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide
CID 25348176
N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide
CID 25348175
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 1186414
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2-chloro-5-methylphenoxy)propan-2-ol
CID 26741924
3-chloro-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977960
4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984560
3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977948
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide (CID 26025328) is N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide is O=C(NCCc1nc2ccccc2n1C[C@H](O)COc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is IZBLWSZGCKMGGJ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H23Cl2N3O3/c26-18-10-11-20(27)23(14-18)33-16-19(31)15-30-22-9-5-4-8-21(22)29-24(30)12-13-28-25(32)17-6-2-1-3-7-17/h1-11,14,19,31H,12-13,15-16H2,(H,28,32)/t19-/m0/s1.
What are the key properties of N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 484.38 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 26025328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).