2-(1-butylpiperidin-4-yl)-1H-benzimidazole

C16H23N3 — CID 150629700

IUPAC2-(1-butylpiperidin-4-yl)-1H-benzimidazole
SMILESCCCCN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H23N3/c1-2-3-10-19-11-8-13(9-12-19)16-17-14-6-4-5-7-15(14)18-16/h4-7,13H,2-3,8-12H2,1H3,(H,17,18)
InChIKeyIXPTWKHCBIEPGY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.54
Rot. Bonds4

About 2-(1-butylpiperidin-4-yl)-1H-benzimidazole

2-(1-butylpiperidin-4-yl)-1H-benzimidazole (PubChem CID 150629700) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(1-butylpiperidin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-butylpiperidin-4-yl)-1H-benzimidazole
PubChem CID150629700
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(1-butylpiperidin-4-yl)-1H-benzimidazole
SMILESCCCCN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H23N3/c1-2-3-10-19-11-8-13(9-12-19)16-17-14-6-4-5-7-15(14)18-16/h4-7,13H,2-3,8-12H2,1H3,(H,17,18)
InChIKeyIXPTWKHCBIEPGY-UHFFFAOYSA-N
XLogP3.54
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]octadecan-1-one
CID 108739547
2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56785941
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
CID 10087324
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 74246859
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine
CID 82167745
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939

Frequently Asked Questions

What is the IUPAC name of 2-(1-butylpiperidin-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-butylpiperidin-4-yl)-1H-benzimidazole (CID 150629700) is 2-(1-butylpiperidin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-butylpiperidin-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-butylpiperidin-4-yl)-1H-benzimidazole is CCCCN1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-(1-butylpiperidin-4-yl)-1H-benzimidazole?
The InChIKey is IXPTWKHCBIEPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-3-10-19-11-8-13(9-12-19)16-17-14-6-4-5-7-15(14)18-16/h4-7,13H,2-3,8-12H2,1H3,(H,17,18).
What are the key properties of 2-(1-butylpiperidin-4-yl)-1H-benzimidazole?
2-(1-butylpiperidin-4-yl)-1H-benzimidazole has a molecular weight of 257.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylpiperidin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 150629700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).