N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide

C18H19N3O3 — CID 47069219

IUPACN-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2cnc3ccccc32)c(OC)c1
InChIInChI=1S/C18H19N3O3/c1-23-13-7-8-14(17(11-13)24-2)18(22)19-9-10-21-12-20-15-5-3-4-6-16(15)21/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
InChIKeyVNYTUONZKIXWAI-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.48
Rot. Bonds6

About N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide

N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide (PubChem CID 47069219) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide
PubChem CID47069219
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2cnc3ccccc32)c(OC)c1
InChIInChI=1S/C18H19N3O3/c1-23-13-7-8-14(17(11-13)24-2)18(22)19-9-10-21-12-20-15-5-3-4-6-16(15)21/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
InChIKeyVNYTUONZKIXWAI-UHFFFAOYSA-N
XLogP2.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 121120244
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-[3-(benzimidazol-1-yl)propyl]-3-bromo-4-methoxybenzamide
CID 40718918
N-[3-(benzimidazol-1-yl)propyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55408128
2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide
CID 18947290
2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103397259
N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide
CID 71705073
2-(benzimidazol-1-yl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515924
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 19282928

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide (CID 47069219) is N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCn2cnc3ccccc32)c(OC)c1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide?
The InChIKey is VNYTUONZKIXWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-23-13-7-8-14(17(11-13)24-2)18(22)19-9-10-21-12-20-15-5-3-4-6-16(15)21/h3-8,11-12H,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide?
N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide has a molecular weight of 325.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 47069219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).