2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole

C26H34N6 — CID 154620183

IUPAC2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCN1CCN(c2cccc3[nH]c([C@H]4CCC[C@@H](c5ncccc5C5CC5)N4C)nc23)CC1
InChIInChI=1S/C26H34N6/c1-30-14-16-32(17-15-30)22-9-3-7-20-25(22)29-26(28-20)23-10-4-8-21(31(23)2)24-19(18-11-12-18)6-5-13-27-24/h3,5-7,9,13,18,21,23H,4,8,10-12,14-17H2,1-2H3,(H,28,29)/t21-,23+/m0/s1
InChIKeyLWNHXHDIBLIAHJ-JTHBVZDNSA-N
MW430.60 g/mol
LogP4.49
Rot. Bonds4

About 2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole

2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 154620183) has the molecular formula C26H34N6 and a molecular weight of 430.60 g/mol. Its IUPAC name is 2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
PubChem CID154620183
Molecular FormulaC26H34N6
Molecular Weight430.60 g/mol
Exact Mass430.28
IUPAC Name2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCN1CCN(c2cccc3[nH]c([C@H]4CCC[C@@H](c5ncccc5C5CC5)N4C)nc23)CC1
InChIInChI=1S/C26H34N6/c1-30-14-16-32(17-15-30)22-9-3-7-20-25(22)29-26(28-20)23-10-4-8-21(31(23)2)24-19(18-11-12-18)6-5-13-27-24/h3,5-7,9,13,18,21,23H,4,8,10-12,14-17H2,1-2H3,(H,28,29)/t21-,23+/m0/s1
InChIKeyLWNHXHDIBLIAHJ-JTHBVZDNSA-N
XLogP4.49
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole (CID 154620183) is 2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole is CN1CCN(c2cccc3[nH]c([C@H]4CCC[C@@H](c5ncccc5C5CC5)N4C)nc23)CC1.
What is the InChIKey of 2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is LWNHXHDIBLIAHJ-JTHBVZDNSA-N. The full InChI is InChI=1S/C26H34N6/c1-30-14-16-32(17-15-30)22-9-3-7-20-25(22)29-26(28-20)23-10-4-8-21(31(23)2)24-19(18-11-12-18)6-5-13-27-24/h3,5-7,9,13,18,21,23H,4,8,10-12,14-17H2,1-2H3,(H,28,29)/t21-,23+/m0/s1.
What are the key properties of 2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole?
2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 430.60 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 154620183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).