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

C19H21N5O — CID 124996331

IUPAC(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc([C@H]2CCCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)n1
InChIInChI=1S/C19H21N5O/c1-12-9-20-10-18(21-12)15-4-3-7-24(11-15)19(25)14-5-6-16-17(8-14)23-13(2)22-16/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyQSDREUFEKBOERT-HNNXBMFYSA-N
MW335.41 g/mol
LogP2.99
Rot. Bonds2

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

(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 124996331) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID124996331
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc([C@H]2CCCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)n1
InChIInChI=1S/C19H21N5O/c1-12-9-20-10-18(21-12)15-4-3-7-24(11-15)19(25)14-5-6-16-17(8-14)23-13(2)22-16/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyQSDREUFEKBOERT-HNNXBMFYSA-N
XLogP2.99
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 127246151
[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124940492
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 110095906
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
1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 110089596
(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125025602
[4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808603
4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 175652313

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (CID 124996331) is (2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is Cc1cncc([C@H]2CCCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)n1.
What is the InChIKey of (2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is QSDREUFEKBOERT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-9-20-10-18(21-12)15-4-3-7-24(11-15)19(25)14-5-6-16-17(8-14)23-13(2)22-16/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124996331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).