2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide

C23H26N4O2 — CID 91639450

IUPAC2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
SMILESCOc1cccc2c1ccn2CC(=O)N[C@H](c1nc2ccccc2n1C)C(C)C
InChIInChI=1S/C23H26N4O2/c1-15(2)22(23-24-17-8-5-6-9-19(17)26(23)3)25-21(28)14-27-13-12-16-18(27)10-7-11-20(16)29-4/h5-13,15,22H,14H2,1-4H3,(H,25,28)/t22-/m0/s1
InChIKeyMNGGWTVNMYXSDF-QFIPXVFZSA-N
MW390.49 g/mol
LogP4.05
Rot. Bonds6

About 2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide

2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide (PubChem CID 91639450) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
PubChem CID91639450
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
SMILESCOc1cccc2c1ccn2CC(=O)N[C@H](c1nc2ccccc2n1C)C(C)C
InChIInChI=1S/C23H26N4O2/c1-15(2)22(23-24-17-8-5-6-9-19(17)26(23)3)25-21(28)14-27-13-12-16-18(27)10-7-11-20(16)29-4/h5-13,15,22H,14H2,1-4H3,(H,25,28)/t22-/m0/s1
InChIKeyMNGGWTVNMYXSDF-QFIPXVFZSA-N
XLogP4.05
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91823296
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91639274
2-methoxy-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 121240654
3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91639142
2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide
CID 83174347
2-(2-methoxyphenyl)-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]acetamide
CID 91821901
2-(2-methoxyethyl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1-oxoisoquinoline-4-carboxamide
CID 91641143
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205311
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide
CID 121239064
2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 91638880
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide (CID 91639450) is 2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide is COc1cccc2c1ccn2CC(=O)N[C@H](c1nc2ccccc2n1C)C(C)C.
What is the InChIKey of 2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide?
The InChIKey is MNGGWTVNMYXSDF-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(2)22(23-24-17-8-5-6-9-19(17)26(23)3)25-21(28)14-27-13-12-16-18(27)10-7-11-20(16)29-4/h5-13,15,22H,14H2,1-4H3,(H,25,28)/t22-/m0/s1.
What are the key properties of 2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide?
2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 91639450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).