N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide

C28H31N3O3 — CID 16967575

IUPACN-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCOc1cccc(OCCCCn2c(C(C)NC(=O)c3ccccc3C)nc3ccccc32)c1
InChIInChI=1S/C28H31N3O3/c1-20-11-4-5-14-24(20)28(32)29-21(2)27-30-25-15-6-7-16-26(25)31(27)17-8-9-18-34-23-13-10-12-22(19-23)33-3/h4-7,10-16,19,21H,8-9,17-18H2,1-3H3,(H,29,32)
InChIKeyNSKQYZSDARYFGK-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.70
Rot. Bonds10

About N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide

N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (PubChem CID 16967575) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
PubChem CID16967575
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCOc1cccc(OCCCCn2c(C(C)NC(=O)c3ccccc3C)nc3ccccc32)c1
InChIInChI=1S/C28H31N3O3/c1-20-11-4-5-14-24(20)28(32)29-21(2)27-30-25-15-6-7-16-26(25)31(27)17-8-9-18-34-23-13-10-12-22(19-23)33-3/h4-7,10-16,19,21H,8-9,17-18H2,1-3H3,(H,29,32)
InChIKeyNSKQYZSDARYFGK-UHFFFAOYSA-N
XLogP5.70
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.70
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

N-[1-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967574
N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967564
4-methoxy-N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009703
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968167
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967582
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006891
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973541
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970219
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972591
N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967510
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970027
N-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009735

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (CID 16967575) is N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide is COc1cccc(OCCCCn2c(C(C)NC(=O)c3ccccc3C)nc3ccccc32)c1.
What is the InChIKey of N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The InChIKey is NSKQYZSDARYFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-20-11-4-5-14-24(20)28(32)29-21(2)27-30-25-15-6-7-16-26(25)31(27)17-8-9-18-34-23-13-10-12-22(19-23)33-3/h4-7,10-16,19,21H,8-9,17-18H2,1-3H3,(H,29,32).
What are the key properties of N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide has a molecular weight of 457.57 g/mol, XLogP of 5.70, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 16967575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).