3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone

C17H17N5O2 — CID 90558946

IUPAC3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C17H17N5O2/c23-17(12-1-2-14-15(9-12)21-11-20-14)22-7-3-13(4-8-22)24-16-10-18-5-6-19-16/h1-2,5-6,9-11,13H,3-4,7-8H2,(H,20,21)
InChIKeyMZMOXQYMXHJNDB-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.04
Rot. Bonds3

About 3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone

3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone (PubChem CID 90558946) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
PubChem CID90558946
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C17H17N5O2/c23-17(12-1-2-14-15(9-12)21-11-20-14)22-7-3-13(4-8-22)24-16-10-18-5-6-19-16/h1-2,5-6,9-11,13H,3-4,7-8H2,(H,20,21)
InChIKeyMZMOXQYMXHJNDB-UHFFFAOYSA-N
XLogP2.04
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70779246
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989
5-(4-pyrazin-2-yloxypiperidine-1-carbonyl)pyran-2-one
CID 90559065
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40704929
(2-nitrophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90559010

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone (CID 90558946) is 3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone is O=C(c1ccc2nc[nH]c2c1)N1CCC(Oc2cnccn2)CC1.
What is the InChIKey of 3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is MZMOXQYMXHJNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-17(12-1-2-14-15(9-12)21-11-20-14)22-7-3-13(4-8-22)24-16-10-18-5-6-19-16/h1-2,5-6,9-11,13H,3-4,7-8H2,(H,20,21).
What are the key properties of 3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 323.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90558946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).