N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide

C19H21N3O4 — CID 17417130

IUPACN-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
SMILESCCn1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C19H21N3O4/c1-5-22-14-9-7-6-8-13(14)20-19(22)21-18(23)12-10-15(24-2)17(26-4)16(11-12)25-3/h6-11H,5H2,1-4H3,(H,20,21,23)
InChIKeyFZXBQECWLALOST-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.33
Rot. Bonds6

About N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide

N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide (PubChem CID 17417130) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
PubChem CID17417130
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
SMILESCCn1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C19H21N3O4/c1-5-22-14-9-7-6-8-13(14)20-19(22)21-18(23)12-10-15(24-2)17(26-4)16(11-12)25-3/h6-11H,5H2,1-4H3,(H,20,21,23)
InChIKeyFZXBQECWLALOST-UHFFFAOYSA-N
XLogP3.33
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
5-chloro-N-(1-ethylbenzimidazol-2-yl)-2-methoxybenzamide
CID 27898030
N-(1-ethylbenzimidazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 43053714
1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one
CID 162660811
2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid
CID 119179389
4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 27148276
3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 5078150
N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 6494094
1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea
CID 35279970
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009789
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009790
N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
CID 27897993

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide (CID 17417130) is N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide is CCn1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is FZXBQECWLALOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-5-22-14-9-7-6-8-13(14)20-19(22)21-18(23)12-10-15(24-2)17(26-4)16(11-12)25-3/h6-11H,5H2,1-4H3,(H,20,21,23).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide?
N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 355.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 17417130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).