N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide

C25H25N3O2 — CID 89433796

IUPACN-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide
SMILESCCOc1ccc2nc(C(C)c3ccc(C(=O)NCc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C25H25N3O2/c1-3-30-21-13-14-22-23(15-21)28-24(27-22)17(2)19-9-11-20(12-10-19)25(29)26-16-18-7-5-4-6-8-18/h4-15,17H,3,16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyOXRBLJSUQPAVCN-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.04
Rot. Bonds7

About N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide

N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide (PubChem CID 89433796) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide
PubChem CID89433796
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide
SMILESCCOc1ccc2nc(C(C)c3ccc(C(=O)NCc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C25H25N3O2/c1-3-30-21-13-14-22-23(15-21)28-24(27-22)17(2)19-9-11-20(12-10-19)25(29)26-16-18-7-5-4-6-8-18/h4-15,17H,3,16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyOXRBLJSUQPAVCN-UHFFFAOYSA-N
XLogP5.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727
6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole
CID 89433744
N-(benzylcarbamoyl)-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 24681484
(2R,3S)-3-(6-ethoxy-1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 3009995
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 71717004
N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide
CID 2230393
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 616694
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 46629807

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide (CID 89433796) is N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide is CCOc1ccc2nc(C(C)c3ccc(C(=O)NCc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide?
The InChIKey is OXRBLJSUQPAVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-30-21-13-14-22-23(15-21)28-24(27-22)17(2)19-9-11-20(12-10-19)25(29)26-16-18-7-5-4-6-8-18/h4-15,17H,3,16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide?
N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 89433796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).