(1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone

C17H23N3O — CID 71307836

IUPAC(1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone
SMILESCC(C)(C)n1cnc2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C17H23N3O/c1-17(2,3)20-12-18-14-11-13(7-8-15(14)20)16(21)19-9-5-4-6-10-19/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyKYFKCBTWOUGFOX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.42
Rot. Bonds1

About (1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone

(1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone (PubChem CID 71307836) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone
PubChem CID71307836
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone
SMILESCC(C)(C)n1cnc2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C17H23N3O/c1-17(2,3)20-12-18-14-11-13(7-8-15(14)20)16(21)19-9-5-4-6-10-19/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyKYFKCBTWOUGFOX-UHFFFAOYSA-N
XLogP3.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone (CID 71307836) is (1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone is CC(C)(C)n1cnc2cc(C(=O)N3CCCCC3)ccc21.
What is the InChIKey of (1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is KYFKCBTWOUGFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2,3)20-12-18-14-11-13(7-8-15(14)20)16(21)19-9-5-4-6-10-19/h7-8,11-12H,4-6,9-10H2,1-3H3.
What are the key properties of (1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone?
(1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 285.39 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 71307836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).