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

C26H27N3O3 — CID 16975792

IUPACN-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1cccc(OCCCn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C26H27N3O3/c1-31-21-11-7-12-22(19-21)32-18-8-17-29-24-14-6-5-13-23(24)28-25(29)15-16-27-26(30)20-9-3-2-4-10-20/h2-7,9-14,19H,8,15-18H2,1H3,(H,27,30)
InChIKeyKGRFTNQMEZGXKR-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.49
Rot. Bonds10

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

N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16975792) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16975792
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1cccc(OCCCn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C26H27N3O3/c1-31-21-11-7-12-22(19-21)32-18-8-17-29-24-14-6-5-13-23(24)28-25(29)15-16-27-26(30)20-9-3-2-4-10-20/h2-7,9-14,19H,8,15-18H2,1H3,(H,27,30)
InChIKeyKGRFTNQMEZGXKR-UHFFFAOYSA-N
XLogP4.49
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977358
3-methoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978144
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
N-[2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974210
N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 16978147
3-chloro-N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990491
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975498
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983711
3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978161
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975801
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989356

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (CID 16975792) is N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is COc1cccc(OCCCn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c1.
What is the InChIKey of N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is KGRFTNQMEZGXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-31-21-11-7-12-22(19-21)32-18-8-17-29-24-14-6-5-13-23(24)28-25(29)15-16-27-26(30)20-9-3-2-4-10-20/h2-7,9-14,19H,8,15-18H2,1H3,(H,27,30).
What are the key properties of N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16975792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).