(2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one

C18H24N4O — CID 10470779

IUPAC(2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one
SMILESCCC[C@H](N)C(=O)N1c2ccccc2C[C@H]1c1ncc(CC)[nH]1
InChIInChI=1S/C18H24N4O/c1-3-7-14(19)18(23)22-15-9-6-5-8-12(15)10-16(22)17-20-11-13(4-2)21-17/h5-6,8-9,11,14,16H,3-4,7,10,19H2,1-2H3,(H,20,21)/t14-,16-/m0/s1
InChIKeyMRCFRLFEYMTSDO-HOCLYGCPSA-N
MW312.42 g/mol
LogP2.73
Rot. Bonds5

About (2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one

(2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one (PubChem CID 10470779) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one
PubChem CID10470779
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one
SMILESCCC[C@H](N)C(=O)N1c2ccccc2C[C@H]1c1ncc(CC)[nH]1
InChIInChI=1S/C18H24N4O/c1-3-7-14(19)18(23)22-15-9-6-5-8-12(15)10-16(22)17-20-11-13(4-2)21-17/h5-6,8-9,11,14,16H,3-4,7,10,19H2,1-2H3,(H,20,21)/t14-,16-/m0/s1
InChIKeyMRCFRLFEYMTSDO-HOCLYGCPSA-N
XLogP2.73
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one (CID 10470779) is (2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one is CCC[C@H](N)C(=O)N1c2ccccc2C[C@H]1c1ncc(CC)[nH]1.
What is the InChIKey of (2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one?
The InChIKey is MRCFRLFEYMTSDO-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-7-14(19)18(23)22-15-9-6-5-8-12(15)10-16(22)17-20-11-13(4-2)21-17/h5-6,8-9,11,14,16H,3-4,7,10,19H2,1-2H3,(H,20,21)/t14-,16-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one?
(2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one has a molecular weight of 312.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one is sourced from PubChem (CID 10470779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).