2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole

C17H25N3 — CID 117431689

IUPAC2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole
SMILESCC(C)(C)c1nc2ccc(CC3CCCCN3)cc2[nH]1
InChIInChI=1S/C17H25N3/c1-17(2,3)16-19-14-8-7-12(11-15(14)20-16)10-13-6-4-5-9-18-13/h7-8,11,13,18H,4-6,9-10H2,1-3H3,(H,19,20)
InChIKeyHMHLGCQCEAOMNN-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.55
Rot. Bonds2

About 2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole

2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole (PubChem CID 117431689) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole
PubChem CID117431689
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole
SMILESCC(C)(C)c1nc2ccc(CC3CCCCN3)cc2[nH]1
InChIInChI=1S/C17H25N3/c1-17(2,3)16-19-14-8-7-12(11-15(14)20-16)10-13-6-4-5-9-18-13/h7-8,11,13,18H,4-6,9-10H2,1-3H3,(H,19,20)
InChIKeyHMHLGCQCEAOMNN-UHFFFAOYSA-N
XLogP3.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 82497430
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
CID 116925567
2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 82495132
4-tert-butyl-7-(piperidin-2-ylmethyl)isoquinoline
CID 117454055
1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
CID 117360875
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
3-(2-tert-butyl-3H-benzimidazol-5-yl)propan-1-ol
CID 117336779
6-(pyrrolidin-2-ylmethyl)-1H-indole
CID 10198107
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol
CID 117118109

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole?
The IUPAC name of 2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole (CID 117431689) is 2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole is CC(C)(C)c1nc2ccc(CC3CCCCN3)cc2[nH]1.
What is the InChIKey of 2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole?
The InChIKey is HMHLGCQCEAOMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-17(2,3)16-19-14-8-7-12(11-15(14)20-16)10-13-6-4-5-9-18-13/h7-8,11,13,18H,4-6,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole?
2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole has a molecular weight of 271.41 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 117431689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).