2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole

C16H22N6 — CID 95203700

IUPAC2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2[C@@H](C)Cn2cccn2)[nH]1
InChIInChI=1S/C16H22N6/c1-3-4-6-15-18-11-14(20-15)16-17-8-10-22(16)13(2)12-21-9-5-7-19-21/h5,7-11,13H,3-4,6,12H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyDKABXSAOZBFUKM-ZDUSSCGKSA-N
MW298.39 g/mol
LogP3.07
Rot. Bonds7

About 2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole

2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole (PubChem CID 95203700) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole
PubChem CID95203700
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2[C@@H](C)Cn2cccn2)[nH]1
InChIInChI=1S/C16H22N6/c1-3-4-6-15-18-11-14(20-15)16-17-8-10-22(16)13(2)12-21-9-5-7-19-21/h5,7-11,13H,3-4,6,12H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyDKABXSAOZBFUKM-ZDUSSCGKSA-N
XLogP3.07
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole?
The IUPAC name of 2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole (CID 95203700) is 2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole.
What is the SMILES notation for 2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole?
The canonical SMILES for 2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole is CCCCc1ncc(-c2nccn2[C@@H](C)Cn2cccn2)[nH]1.
What is the InChIKey of 2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole?
The InChIKey is DKABXSAOZBFUKM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N6/c1-3-4-6-15-18-11-14(20-15)16-17-8-10-22(16)13(2)12-21-9-5-7-19-21/h5,7-11,13H,3-4,6,12H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of 2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole?
2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole has a molecular weight of 298.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole is sourced from PubChem (CID 95203700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).