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

C24H31N5 — CID 154620200

IUPAC4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3c(C4CCN(C)CC4)cccc3[nH]2)N1
InChIInChI=1S/C24H31N5/c1-16-6-5-13-25-22(16)19-9-4-10-21(26-19)24-27-20-8-3-7-18(23(20)28-24)17-11-14-29(2)15-12-17/h3,5-8,13,17,19,21,26H,4,9-12,14-15H2,1-2H3,(H,27,28)/t19-,21+/m0/s1
InChIKeyJRZXKMUOGCTPOS-PZJWPPBQSA-N
MW389.55 g/mol
LogP4.63
Rot. Bonds3

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

4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole (PubChem CID 154620200) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
PubChem CID154620200
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC Name4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3c(C4CCN(C)CC4)cccc3[nH]2)N1
InChIInChI=1S/C24H31N5/c1-16-6-5-13-25-22(16)19-9-4-10-21(26-19)24-27-20-8-3-7-18(23(20)28-24)17-11-14-29(2)15-12-17/h3,5-8,13,17,19,21,26H,4,9-12,14-15H2,1-2H3,(H,27,28)/t19-,21+/m0/s1
InChIKeyJRZXKMUOGCTPOS-PZJWPPBQSA-N
XLogP4.63
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole (CID 154620200) is 4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3c(C4CCN(C)CC4)cccc3[nH]2)N1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole?
The InChIKey is JRZXKMUOGCTPOS-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H31N5/c1-16-6-5-13-25-22(16)19-9-4-10-21(26-19)24-27-20-8-3-7-18(23(20)28-24)17-11-14-29(2)15-12-17/h3,5-8,13,17,19,21,26H,4,9-12,14-15H2,1-2H3,(H,27,28)/t19-,21+/m0/s1.
What are the key properties of 4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole?
4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole has a molecular weight of 389.55 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 154620200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).