(3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one

C17H24N4O2 — CID 97331869

IUPAC(3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one
SMILESCC(C)[C@H](O)CC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H24N4O2/c1-12(2)15(22)11-16(23)20-7-9-21(10-8-20)17-18-13-5-3-4-6-14(13)19-17/h3-6,12,15,22H,7-11H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyWGQLRETVJWZDJB-OAHLLOKOSA-N
MW316.40 g/mol
LogP1.62
Rot. Bonds4

About (3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one

(3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one (PubChem CID 97331869) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one.

Molecular Properties

Compound Name(3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one
PubChem CID97331869
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one
SMILESCC(C)[C@H](O)CC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H24N4O2/c1-12(2)15(22)11-16(23)20-7-9-21(10-8-20)17-18-13-5-3-4-6-14(13)19-17/h3-6,12,15,22H,7-11H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyWGQLRETVJWZDJB-OAHLLOKOSA-N
XLogP1.62
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one with MolForge

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133410090
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one
CID 133282678
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 126816820
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone
CID 86896688
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 133282698
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 146022449
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 44565640
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
CID 18425264
2-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 97063057
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 25268868
bis(2-(4-ethylpiperazin-1-yl)-1H-benzimidazole);hydrate;tetrahydrochloride
CID 67157381

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one?
The IUPAC name of (3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one (CID 97331869) is (3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one.
What is the SMILES notation for (3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one?
The canonical SMILES for (3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one is CC(C)[C@H](O)CC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of (3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one?
The InChIKey is WGQLRETVJWZDJB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)15(22)11-16(23)20-7-9-21(10-8-20)17-18-13-5-3-4-6-14(13)19-17/h3-6,12,15,22H,7-11H2,1-2H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one?
(3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one has a molecular weight of 316.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one is sourced from PubChem (CID 97331869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).