N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide

C17H21N3O2 — CID 95622362

IUPACN-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCCC(=O)N[C@H]1CCc2c(O)cccc21
InChIInChI=1S/C17H21N3O2/c1-12-18-9-11-20(12)10-3-6-17(22)19-15-8-7-14-13(15)4-2-5-16(14)21/h2,4-5,9,11,15,21H,3,6-8,10H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyMRBDGJXWKNIIAF-HNNXBMFYSA-N
MW299.37 g/mol
LogP2.48
Rot. Bonds5

About N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide

N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide (PubChem CID 95622362) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide
PubChem CID95622362
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCCC(=O)N[C@H]1CCc2c(O)cccc21
InChIInChI=1S/C17H21N3O2/c1-12-18-9-11-20(12)10-3-6-17(22)19-15-8-7-14-13(15)4-2-5-16(14)21/h2,4-5,9,11,15,21H,3,6-8,10H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyMRBDGJXWKNIIAF-HNNXBMFYSA-N
XLogP2.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 102554514
N-[(1S)-6-(cyclopentylsulfamoyl)-2,3-dihydro-1H-inden-1-yl]-3-(2-methylimidazol-1-yl)propanamide
CID 92634771
3-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(3-imidazol-1-ylpropyl)-1-methylurea
CID 97235600
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131896789
4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 86835368
N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
CID 96517026
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
CID 96517025
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide
CID 71858360
N-ethyl-7-(2-methylimidazol-1-yl)heptanamide
CID 54522614
5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
CID 54508862
N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 95146524
N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide
CID 95630466

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide?
The IUPAC name of N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide (CID 95622362) is N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide.
What is the SMILES notation for N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide?
The canonical SMILES for N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide is Cc1nccn1CCCC(=O)N[C@H]1CCc2c(O)cccc21.
What is the InChIKey of N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide?
The InChIKey is MRBDGJXWKNIIAF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-18-9-11-20(12)10-3-6-17(22)19-15-8-7-14-13(15)4-2-5-16(14)21/h2,4-5,9,11,15,21H,3,6-8,10H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide?
N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide has a molecular weight of 299.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide is sourced from PubChem (CID 95622362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).