N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

C20H26N4O — CID 97152669

IUPACN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCC[C@H](NC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12)c1ncc(C)[nH]1
InChIInChI=1S/C20H26N4O/c1-6-17(20-21-10-13(4)22-20)24-18(25)9-15-14(5)23-19-12(3)7-11(2)8-16(15)19/h7-8,10,17,23H,6,9H2,1-5H3,(H,21,22)(H,24,25)/t17-/m0/s1
InChIKeyQTCOMOLMXMXUOI-KRWDZBQOSA-N
MW338.46 g/mol
LogP3.93
Rot. Bonds5

About N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 97152669) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID97152669
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCC[C@H](NC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12)c1ncc(C)[nH]1
InChIInChI=1S/C20H26N4O/c1-6-17(20-21-10-13(4)22-20)24-18(25)9-15-14(5)23-19-12(3)7-11(2)8-16(15)19/h7-8,10,17,23H,6,9H2,1-5H3,(H,21,22)(H,24,25)/t17-/m0/s1
InChIKeyQTCOMOLMXMXUOI-KRWDZBQOSA-N
XLogP3.93
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70774748
2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide
CID 99961287
N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70739178
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 99934795
2-hydroxypropane-1,2,3-tricarboxylic acid;N-(1-pyrrolidin-1-ylbutan-2-yl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 118747336
N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 6249873
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 131930615
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 72847742
4-hydroxy-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 77084654
4-hydroxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 99973871
3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide
CID 99974460
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide
CID 99933460

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (CID 97152669) is N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is CC[C@H](NC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12)c1ncc(C)[nH]1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is QTCOMOLMXMXUOI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O/c1-6-17(20-21-10-13(4)22-20)24-18(25)9-15-14(5)23-19-12(3)7-11(2)8-16(15)19/h7-8,10,17,23H,6,9H2,1-5H3,(H,21,22)(H,24,25)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 338.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 97152669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).