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

C20H23N3O4 — CID 17008524

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H23N3O4/c1-5-23-15-9-7-6-8-14(15)22-18(23)12-21-20(24)13-10-16(25-2)19(27-4)17(11-13)26-3/h6-11H,5,12H2,1-4H3,(H,21,24)
InChIKeyLMCQBMRIBDDECR-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.01
Rot. Bonds7

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

N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 17008524) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID17008524
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H23N3O4/c1-5-23-15-9-7-6-8-14(15)22-18(23)12-21-20(24)13-10-16(25-2)19(27-4)17(11-13)26-3/h6-11H,5,12H2,1-4H3,(H,21,24)
InChIKeyLMCQBMRIBDDECR-UHFFFAOYSA-N
XLogP3.01
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 5078150
N-[[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008526
3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008563
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008546
N-[[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008549
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008656
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24549096
N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008648
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008633
3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008651
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18093027

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide (CID 17008524) is N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide is CCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is LMCQBMRIBDDECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-5-23-15-9-7-6-8-14(15)22-18(23)12-21-20(24)13-10-16(25-2)19(27-4)17(11-13)26-3/h6-11H,5,12H2,1-4H3,(H,21,24).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 369.42 g/mol, XLogP of 3.01, 7 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)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 17008524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).