3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

C18H19N5O — CID 127246151

IUPAC3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc(C2CCCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1
InChIInChI=1S/C18H19N5O/c1-12-8-19-9-17(22-12)14-3-2-6-23(10-14)18(24)13-4-5-15-16(7-13)21-11-20-15/h4-5,7-9,11,14H,2-3,6,10H2,1H3,(H,20,21)
InChIKeySJWVOXVKWZJRDX-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.68
Rot. Bonds2

About 3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 127246151) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID127246151
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc(C2CCCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1
InChIInChI=1S/C18H19N5O/c1-12-8-19-9-17(22-12)14-3-2-6-23(10-14)18(24)13-4-5-15-16(7-13)21-11-20-15/h4-5,7-9,11,14H,2-3,6,10H2,1H3,(H,20,21)
InChIKeySJWVOXVKWZJRDX-UHFFFAOYSA-N
XLogP2.68
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124996331
(2-methyl-3H-benzimidazol-5-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 127246184
2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124942665
[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124940492
3H-benzimidazol-5-yl-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 95805225
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124968805
3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124950164
3H-benzimidazol-5-yl-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
CID 99873270
3-methyl-5-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 124991358
1-methyl-5-[3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 110102509
3H-benzimidazol-5-yl-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95290365

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (CID 127246151) is 3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is Cc1cncc(C2CCCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1.
What is the InChIKey of 3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is SJWVOXVKWZJRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-8-19-9-17(22-12)14-3-2-6-23(10-14)18(24)13-4-5-15-16(7-13)21-11-20-15/h4-5,7-9,11,14H,2-3,6,10H2,1H3,(H,20,21).
What are the key properties of 3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 127246151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).