2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole

C21H25N3 — CID 10087324

IUPAC2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
SMILESCC(CN1CCC(c2nc3ccccc3[nH]2)CC1)c1ccccc1
InChIInChI=1S/C21H25N3/c1-16(17-7-3-2-4-8-17)15-24-13-11-18(12-14-24)21-22-19-9-5-6-10-20(19)23-21/h2-10,16,18H,11-15H2,1H3,(H,22,23)
InChIKeyXFUHGYZNIPIACW-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.55
Rot. Bonds4

About 2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole

2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole (PubChem CID 10087324) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
PubChem CID10087324
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
SMILESCC(CN1CCC(c2nc3ccccc3[nH]2)CC1)c1ccccc1
InChIInChI=1S/C21H25N3/c1-16(17-7-3-2-4-8-17)15-24-13-11-18(12-14-24)21-22-19-9-5-6-10-20(19)23-21/h2-10,16,18H,11-15H2,1H3,(H,22,23)
InChIKeyXFUHGYZNIPIACW-UHFFFAOYSA-N
XLogP4.55
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine
CID 82167745
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
(1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol
CID 124756300
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole
CID 141019607

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole (CID 10087324) is 2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole is CC(CN1CCC(c2nc3ccccc3[nH]2)CC1)c1ccccc1.
What is the InChIKey of 2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole?
The InChIKey is XFUHGYZNIPIACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-16(17-7-3-2-4-8-17)15-24-13-11-18(12-14-24)21-22-19-9-5-6-10-20(19)23-21/h2-10,16,18H,11-15H2,1H3,(H,22,23).
What are the key properties of 2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole?
2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole has a molecular weight of 319.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 10087324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).