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

C17H21N5 — CID 56787398

IUPAC2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCn1ccnc1CN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H21N5/c1-21-11-8-18-16(21)12-22-9-6-13(7-10-22)17-19-14-4-2-3-5-15(14)20-17/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,19,20)
InChIKeyRMIUBFGUTRTXSZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.68
Rot. Bonds3

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

2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 56787398) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID56787398
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCn1ccnc1CN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H21N5/c1-21-11-8-18-16(21)12-22-9-6-13(7-10-22)17-19-14-4-2-3-5-15(14)20-17/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,19,20)
InChIKeyRMIUBFGUTRTXSZ-UHFFFAOYSA-N
XLogP2.68
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole (CID 56787398) is 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole is Cn1ccnc1CN1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is RMIUBFGUTRTXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-21-11-8-18-16(21)12-22-9-6-13(7-10-22)17-19-14-4-2-3-5-15(14)20-17/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,19,20).
What are the key properties of 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 295.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 56787398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).