3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide

C29H41N3O3 — CID 17009941

IUPAC3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCCCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C29H41N3O3/c1-5-6-7-8-9-10-11-12-15-20-32-25-17-14-13-16-24(25)31-28(32)22(2)30-29(33)23-18-19-26(34-3)27(21-23)35-4/h13-14,16-19,21-22H,5-12,15,20H2,1-4H3,(H,30,33)
InChIKeyVWHCPZNUNSTBFY-UHFFFAOYSA-N
MW479.67 g/mol
LogP7.08
Rot. Bonds15

About 3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide

3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 17009941) has the molecular formula C29H41N3O3 and a molecular weight of 479.67 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID17009941
Molecular FormulaC29H41N3O3
Molecular Weight479.67 g/mol
Exact Mass479.31
IUPAC Name3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCCCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C29H41N3O3/c1-5-6-7-8-9-10-11-12-15-20-32-25-17-14-13-16-24(25)31-28(32)22(2)30-29(33)23-18-19-26(34-3)27(21-23)35-4/h13-14,16-19,21-22H,5-12,15,20H2,1-4H3,(H,30,33)
InChIKeyVWHCPZNUNSTBFY-UHFFFAOYSA-N
XLogP7.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide 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-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 17009937
3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010037
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009790
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009789
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010098
N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010101
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16967951
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009968
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 17009932
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide (CID 17009941) is 3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide is CCCCCCCCCCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of 3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is VWHCPZNUNSTBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O3/c1-5-6-7-8-9-10-11-12-15-20-32-25-17-14-13-16-24(25)31-28(32)22(2)30-29(33)23-18-19-26(34-3)27(21-23)35-4/h13-14,16-19,21-22H,5-12,15,20H2,1-4H3,(H,30,33).
What are the key properties of 3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide?
3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 479.67 g/mol, XLogP of 7.08, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 17009941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).