6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole

C16H23N3 — CID 82184491

IUPAC6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole
SMILESCC(C)(C)c1ccc2nc(C3CCNCC3)[nH]c2c1
InChIInChI=1S/C16H23N3/c1-16(2,3)12-4-5-13-14(10-12)19-15(18-13)11-6-8-17-9-7-11/h4-5,10-11,17H,6-9H2,1-3H3,(H,18,19)
InChIKeyVWLMHLBFAMBZRR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.33
Rot. Bonds1

About 6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole

6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole (PubChem CID 82184491) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole
PubChem CID82184491
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole
SMILESCC(C)(C)c1ccc2nc(C3CCNCC3)[nH]c2c1
InChIInChI=1S/C16H23N3/c1-16(2,3)12-4-5-13-14(10-12)19-15(18-13)11-6-8-17-9-7-11/h4-5,10-11,17H,6-9H2,1-3H3,(H,18,19)
InChIKeyVWLMHLBFAMBZRR-UHFFFAOYSA-N
XLogP3.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole
CID 18365254
2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol
CID 86699016
6-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 62069300
2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole
CID 95473984
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine
CID 22308651
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
CID 63399500
6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
CID 130454688
4-methyl-2-piperidin-4-yl-1H-benzimidazole
CID 18761517
2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 70238368
4-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 82007515

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole?
The IUPAC name of 6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole (CID 82184491) is 6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole.
What is the SMILES notation for 6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole?
The canonical SMILES for 6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole is CC(C)(C)c1ccc2nc(C3CCNCC3)[nH]c2c1.
What is the InChIKey of 6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole?
The InChIKey is VWLMHLBFAMBZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,3)12-4-5-13-14(10-12)19-15(18-13)11-6-8-17-9-7-11/h4-5,10-11,17H,6-9H2,1-3H3,(H,18,19).
What are the key properties of 6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole?
6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole has a molecular weight of 257.38 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole is sourced from PubChem (CID 82184491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).