[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone

C21H26N4O2 — CID 16673293

IUPAC[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc2nc(C3CCCCN3C(=O)c3cc(CC(C)C)on3)[nH]c2c1
InChIInChI=1S/C21H26N4O2/c1-13(2)10-15-12-18(24-27-15)21(26)25-9-5-4-6-19(25)20-22-16-8-7-14(3)11-17(16)23-20/h7-8,11-13,19H,4-6,9-10H2,1-3H3,(H,22,23)
InChIKeyRVPNOKXLSHBMOQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.43
Rot. Bonds4

About [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone

[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone (PubChem CID 16673293) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
PubChem CID16673293
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc2nc(C3CCCCN3C(=O)c3cc(CC(C)C)on3)[nH]c2c1
InChIInChI=1S/C21H26N4O2/c1-13(2)10-15-12-18(24-27-15)21(26)25-9-5-4-6-19(25)20-22-16-8-7-14(3)11-17(16)23-20/h7-8,11-13,19H,4-6,9-10H2,1-3H3,(H,22,23)
InChIKeyRVPNOKXLSHBMOQ-UHFFFAOYSA-N
XLogP4.43
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone (CID 16673293) is [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone is Cc1ccc2nc(C3CCCCN3C(=O)c3cc(CC(C)C)on3)[nH]c2c1.
What is the InChIKey of [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is RVPNOKXLSHBMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13(2)10-15-12-18(24-27-15)21(26)25-9-5-4-6-19(25)20-22-16-8-7-14(3)11-17(16)23-20/h7-8,11-13,19H,4-6,9-10H2,1-3H3,(H,22,23).
What are the key properties of [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?
[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 366.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 16673293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).