3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide

C20H23N3O5 — CID 110419706

IUPAC3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
SMILESCOc1cc(C(=O)NCCCn2c(=O)[nH]c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H23N3O5/c1-26-16-11-13(12-17(27-2)18(16)28-3)19(24)21-9-6-10-23-15-8-5-4-7-14(15)22-20(23)25/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyGFMIDYHHJZFUHI-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.18
Rot. Bonds8

About 3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide

3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide (PubChem CID 110419706) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
PubChem CID110419706
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
SMILESCOc1cc(C(=O)NCCCn2c(=O)[nH]c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H23N3O5/c1-26-16-11-13(12-17(27-2)18(16)28-3)19(24)21-9-6-10-23-15-8-5-4-7-14(15)22-20(23)25/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyGFMIDYHHJZFUHI-UHFFFAOYSA-N
XLogP2.18
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419698
3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110610885
4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419732
3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400726
3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
CID 110419764
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
2-(2-methoxyphenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
CID 110400765
N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide
CID 16983942
3,4,5-trimethoxy-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991095
3-[3-(4-acetyl-2-methoxyphenyl)sulfanylpropyl]-1H-benzimidazol-2-one
CID 166232451
2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide
CID 110419711
3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-ethoxy-3-methoxybenzoate
CID 16516114

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide (CID 110419706) is 3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide is COc1cc(C(=O)NCCCn2c(=O)[nH]c3ccccc32)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide?
The InChIKey is GFMIDYHHJZFUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-26-16-11-13(12-17(27-2)18(16)28-3)19(24)21-9-6-10-23-15-8-5-4-7-14(15)22-20(23)25/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide?
3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide has a molecular weight of 385.42 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide is sourced from PubChem (CID 110419706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).