N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide

C27H34N4O5 — CID 17009912

IUPACN-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)N2CCCCCC2)cc(OC)c1OC
InChIInChI=1S/C27H34N4O5/c1-18(28-27(33)19-15-22(34-2)25(36-4)23(16-19)35-3)26-29-20-11-7-8-12-21(20)31(26)17-24(32)30-13-9-5-6-10-14-30/h7-8,11-12,15-16,18H,5-6,9-10,13-14,17H2,1-4H3,(H,28,33)
InChIKeyTXCJAHJHWLPXFC-UHFFFAOYSA-N
MW494.59 g/mol
LogP3.96
Rot. Bonds8

About N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide

N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 17009912) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
PubChem CID17009912
Molecular FormulaC27H34N4O5
Molecular Weight494.59 g/mol
Exact Mass494.25
IUPAC NameN-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)N2CCCCCC2)cc(OC)c1OC
InChIInChI=1S/C27H34N4O5/c1-18(28-27(33)19-15-22(34-2)25(36-4)23(16-19)35-3)26-29-20-11-7-8-12-21(20)31(26)17-24(32)30-13-9-5-6-10-14-30/h7-8,11-12,15-16,18H,5-6,9-10,13-14,17H2,1-4H3,(H,28,33)
InChIKeyTXCJAHJHWLPXFC-UHFFFAOYSA-N
XLogP3.96
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008656
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009816
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide
CID 17009443
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
3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009818
3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009819
3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010070
3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991194
3,4,5-trimethoxy-N-[1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009820
3,4,5-trimethoxy-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009864

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide (CID 17009912) is N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)N2CCCCCC2)cc(OC)c1OC.
What is the InChIKey of N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is TXCJAHJHWLPXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-18(28-27(33)19-15-22(34-2)25(36-4)23(16-19)35-3)26-29-20-11-7-8-12-21(20)31(26)17-24(32)30-13-9-5-6-10-14-30/h7-8,11-12,15-16,18H,5-6,9-10,13-14,17H2,1-4H3,(H,28,33).
What are the key properties of N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide?
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 494.59 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 17009912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).