[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

C17H20N4O3 — CID 40704929

IUPAC[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C17H20N4O3/c22-16(12-3-4-13-14(10-12)19-11-18-13)20-5-7-21(8-6-20)17(23)15-2-1-9-24-15/h3-4,10-11,15H,1-2,5-9H2,(H,18,19)/t15-/m1/s1
InChIKeyYDHUHCUYXNDLHT-OAHLLOKOSA-N
MW328.37 g/mol
LogP1.03
Rot. Bonds2

About [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 40704929) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID40704929
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C17H20N4O3/c22-16(12-3-4-13-14(10-12)19-11-18-13)20-5-7-21(8-6-20)17(23)15-2-1-9-24-15/h3-4,10-11,15H,1-2,5-9H2,(H,18,19)/t15-/m1/s1
InChIKeyYDHUHCUYXNDLHT-OAHLLOKOSA-N
XLogP1.03
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-(4-hydroxycyclohexyl)methanone;formic acid
CID 154914499
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 47069229
3H-benzimidazol-5-yl-(4,4-dimethylazepan-1-yl)methanone
CID 65282069
[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 108547614
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
3H-benzimidazol-5-yl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814747
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468

Frequently Asked Questions

What is the IUPAC name of [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 40704929) is [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is O=C(c1ccc2nc[nH]c2c1)N1CCN(C(=O)[C@H]2CCCO2)CC1.
What is the InChIKey of [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is YDHUHCUYXNDLHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(12-3-4-13-14(10-12)19-11-18-13)20-5-7-21(8-6-20)17(23)15-2-1-9-24-15/h3-4,10-11,15H,1-2,5-9H2,(H,18,19)/t15-/m1/s1.
What are the key properties of [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 40704929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).