3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide

C23H29N3O4 — CID 5078150

IUPAC3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C23H29N3O4/c1-5-6-9-12-26-18-11-8-7-10-17(18)25-21(26)15-24-23(27)16-13-19(28-2)22(30-4)20(14-16)29-3/h7-8,10-11,13-14H,5-6,9,12,15H2,1-4H3,(H,24,27)
InChIKeyZVZTWMVWTSUZPN-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.18
Rot. Bonds10

About 3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide

3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 5078150) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
PubChem CID5078150
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C23H29N3O4/c1-5-6-9-12-26-18-11-8-7-10-17(18)25-21(26)15-24-23(27)16-13-19(28-2)22(30-4)20(14-16)29-3/h7-8,10-11,13-14H,5-6,9,12,15H2,1-4H3,(H,24,27)
InChIKeyZVZTWMVWTSUZPN-UHFFFAOYSA-N
XLogP4.18
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide
CID 16983942
3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008633
3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008563
3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008602
3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007901
N-[[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008526
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-[(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

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide (CID 5078150) is 3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide is CCCCCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of 3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is ZVZTWMVWTSUZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-5-6-9-12-26-18-11-8-7-10-17(18)25-21(26)15-24-23(27)16-13-19(28-2)22(30-4)20(14-16)29-3/h7-8,10-11,13-14H,5-6,9,12,15H2,1-4H3,(H,24,27).
What are the key properties of 3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide?
3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 411.50 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 5078150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).