N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide

C21H22N4O2 — CID 91645810

IUPACN-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1ccc2c(ccn2CC(=O)NCc2nc3cccc(C)c3n2C)c1
InChIInChI=1S/C21H22N4O2/c1-14-5-4-6-17-21(14)24(2)19(23-17)12-22-20(26)13-25-10-9-15-11-16(27-3)7-8-18(15)25/h4-11H,12-13H2,1-3H3,(H,22,26)
InChIKeyRIIGZNDPNHXJMP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.16
Rot. Bonds5

About N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide

N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide (PubChem CID 91645810) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide
PubChem CID91645810
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1ccc2c(ccn2CC(=O)NCc2nc3cccc(C)c3n2C)c1
InChIInChI=1S/C21H22N4O2/c1-14-5-4-6-17-21(14)24(2)19(23-17)12-22-20(26)13-25-10-9-15-11-16(27-3)7-8-18(15)25/h4-11H,12-13H2,1-3H3,(H,22,26)
InChIKeyRIIGZNDPNHXJMP-UHFFFAOYSA-N
XLogP3.16
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide?
The IUPAC name of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide (CID 91645810) is N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide.
What is the SMILES notation for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide?
The canonical SMILES for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide is COc1ccc2c(ccn2CC(=O)NCc2nc3cccc(C)c3n2C)c1.
What is the InChIKey of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide?
The InChIKey is RIIGZNDPNHXJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-5-4-6-17-21(14)24(2)19(23-17)12-22-20(26)13-25-10-9-15-11-16(27-3)7-8-18(15)25/h4-11H,12-13H2,1-3H3,(H,22,26).
What are the key properties of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide?
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide is sourced from PubChem (CID 91645810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).