2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole

C16H21N3O2 — CID 75435540

IUPAC2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole
SMILESCC1(C2CCN(c3nc4ccccc4[nH]3)CC2)OCCO1
InChIInChI=1S/C16H21N3O2/c1-16(20-10-11-21-16)12-6-8-19(9-7-12)15-17-13-4-2-3-5-14(13)18-15/h2-5,12H,6-11H2,1H3,(H,17,18)
InChIKeyRHOVRWDPGLSDGE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.54
Rot. Bonds2

About 2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole

2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole (PubChem CID 75435540) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole
PubChem CID75435540
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole
SMILESCC1(C2CCN(c3nc4ccccc4[nH]3)CC2)OCCO1
InChIInChI=1S/C16H21N3O2/c1-16(20-10-11-21-16)12-6-8-19(9-7-12)15-17-13-4-2-3-5-14(13)18-15/h2-5,12H,6-11H2,1H3,(H,17,18)
InChIKeyRHOVRWDPGLSDGE-UHFFFAOYSA-N
XLogP2.54
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole (CID 75435540) is 2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole is CC1(C2CCN(c3nc4ccccc4[nH]3)CC2)OCCO1.
What is the InChIKey of 2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole?
The InChIKey is RHOVRWDPGLSDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(20-10-11-21-16)12-6-8-19(9-7-12)15-17-13-4-2-3-5-14(13)18-15/h2-5,12H,6-11H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole?
2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole has a molecular weight of 287.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 75435540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).