N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide

C26H27N3O3 — CID 85452280

IUPACN-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(OCC(O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C26H27N3O3/c1-19-8-7-11-22(16-19)32-18-21(30)17-29-24-13-6-5-12-23(24)28-25(29)14-15-27-26(31)20-9-3-2-4-10-20/h2-13,16,21,30H,14-15,17-18H2,1H3,(H,27,31)
InChIKeyBGDATWKOKCMEKV-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.76
Rot. Bonds9

About N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide

N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 85452280) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID85452280
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(OCC(O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C26H27N3O3/c1-19-8-7-11-22(16-19)32-18-21(30)17-29-24-13-6-5-12-23(24)28-25(29)14-15-27-26(31)20-9-3-2-4-10-20/h2-13,16,21,30H,14-15,17-18H2,1H3,(H,27,31)
InChIKeyBGDATWKOKCMEKV-UHFFFAOYSA-N
XLogP3.76
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.76
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-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide
CID 26025328
1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 46270267
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989356
3-methoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978144
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975792
3,4-dimethoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976904
3,4,5-trimethoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977057
N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030842
1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol
CID 47557039
4-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976528
3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990344

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (CID 85452280) is N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is Cc1cccc(OCC(O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c1.
What is the InChIKey of N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is BGDATWKOKCMEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19-8-7-11-22(16-19)32-18-21(30)17-29-24-13-6-5-12-23(24)28-25(29)14-15-27-26(31)20-9-3-2-4-10-20/h2-13,16,21,30H,14-15,17-18H2,1H3,(H,27,31).
What are the key properties of N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 85452280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).