N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide

C22H24N4O2 — CID 46975099

IUPACN-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCc3nc4cc(C)c(C)cc4[nH]3)c(C)c2c1
InChIInChI=1S/C22H24N4O2/c1-12-9-18-19(10-13(12)2)25-20(24-18)7-8-23-22(27)21-14(3)16-11-15(28-4)5-6-17(16)26-21/h5-6,9-11,26H,7-8H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyVZGFZWHBDZBWTK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.95
Rot. Bonds5

About N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide

N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide (PubChem CID 46975099) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
PubChem CID46975099
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCc3nc4cc(C)c(C)cc4[nH]3)c(C)c2c1
InChIInChI=1S/C22H24N4O2/c1-12-9-18-19(10-13(12)2)25-20(24-18)7-8-23-22(27)21-14(3)16-11-15(28-4)5-6-17(16)26-21/h5-6,9-11,26H,7-8H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyVZGFZWHBDZBWTK-UHFFFAOYSA-N
XLogP3.95
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 113204847
2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 60979184
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide
CID 119069776
5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4971080
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 84560321
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
N-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 59018410
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 118786104
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide (CID 46975099) is N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCCc3nc4cc(C)c(C)cc4[nH]3)c(C)c2c1.
What is the InChIKey of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The InChIKey is VZGFZWHBDZBWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-12-9-18-19(10-13(12)2)25-20(24-18)7-8-23-22(27)21-14(3)16-11-15(28-4)5-6-17(16)26-21/h5-6,9-11,26H,7-8H2,1-4H3,(H,23,27)(H,24,25).
What are the key properties of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide?
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 46975099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).