[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C18H22N4O3 — CID 110801207

IUPAC[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)ccc21
InChIInChI=1S/C18H22N4O3/c1-20-12-19-14-11-13(4-5-15(14)20)17(23)21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h4-5,11-12,16H,2-3,6-10H2,1H3
InChIKeyWIJCLMDWEINIBQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.04
Rot. Bonds2

About [4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 110801207) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID110801207
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)ccc21
InChIInChI=1S/C18H22N4O3/c1-20-12-19-14-11-13(4-5-15(14)20)17(23)21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h4-5,11-12,16H,2-3,6-10H2,1H3
InChIKeyWIJCLMDWEINIBQ-UHFFFAOYSA-N
XLogP1.04
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
[4-[2-(difluoromethyl)-1-methylbenzimidazole-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 136540005
[1-(1-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 118789278
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40704929
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
N-methyl-N-(1-methylbenzimidazol-5-yl)oxolane-2-carboxamide
CID 110869282
(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 125169053
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110801799
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110807659

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 110801207) is [4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is Cn1cnc2cc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)ccc21.
What is the InChIKey of [4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is WIJCLMDWEINIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-20-12-19-14-11-13(4-5-15(14)20)17(23)21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h4-5,11-12,16H,2-3,6-10H2,1H3.
What are the key properties of [4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 110801207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).