[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone

C21H20N6O — CID 91946798

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone
SMILESCc1ccc2nnc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)nc2c1
InChIInChI=1S/C21H20N6O/c1-13-8-9-17-18(11-13)24-20(26-25-17)21(28)27-10-4-5-14(12-27)19-22-15-6-2-3-7-16(15)23-19/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,22,23)
InChIKeySLHQAAYBNHJRBH-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.23
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone (PubChem CID 91946798) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone
PubChem CID91946798
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone
SMILESCc1ccc2nnc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)nc2c1
InChIInChI=1S/C21H20N6O/c1-13-8-9-17-18(11-13)24-20(26-25-17)21(28)27-10-4-5-14(12-27)19-22-15-6-2-3-7-16(15)23-19/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,22,23)
InChIKeySLHQAAYBNHJRBH-UHFFFAOYSA-N
XLogP3.23
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 70769742
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone
CID 91946817
3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 44754575
(6-methyl-1,2,4-benzotriazin-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947275
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 42932458
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one
CID 70782693
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone (CID 91946798) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone is Cc1ccc2nnc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)nc2c1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone?
The InChIKey is SLHQAAYBNHJRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-13-8-9-17-18(11-13)24-20(26-25-17)21(28)27-10-4-5-14(12-27)19-22-15-6-2-3-7-16(15)23-19/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,22,23).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone has a molecular weight of 372.43 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone is sourced from PubChem (CID 91946798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).