4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole

C25H32N6 — CID 145424904

IUPAC4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
SMILESCc1cccnc1C1CCCN1Cc1nc2c(N3CCN(C)C4(CC4)C3)cccc2[nH]1
InChIInChI=1S/C25H32N6/c1-18-6-4-12-26-23(18)20-9-5-13-30(20)16-22-27-19-7-3-8-21(24(19)28-22)31-15-14-29(2)25(17-31)10-11-25/h3-4,6-8,12,20H,5,9-11,13-17H2,1-2H3,(H,27,28)
InChIKeyQAMHLCZVOQYLRZ-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.89
Rot. Bonds4

About 4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole

4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole (PubChem CID 145424904) has the molecular formula C25H32N6 and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
PubChem CID145424904
Molecular FormulaC25H32N6
Molecular Weight416.57 g/mol
Exact Mass416.27
IUPAC Name4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
SMILESCc1cccnc1C1CCCN1Cc1nc2c(N3CCN(C)C4(CC4)C3)cccc2[nH]1
InChIInChI=1S/C25H32N6/c1-18-6-4-12-26-23(18)20-9-5-13-30(20)16-22-27-19-7-3-8-21(24(19)28-22)31-15-14-29(2)25(17-31)10-11-25/h3-4,6-8,12,20H,5,9-11,13-17H2,1-2H3,(H,27,28)
InChIKeyQAMHLCZVOQYLRZ-UHFFFAOYSA-N
XLogP3.89
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole (CID 145424904) is 4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole is Cc1cccnc1C1CCCN1Cc1nc2c(N3CCN(C)C4(CC4)C3)cccc2[nH]1.
What is the InChIKey of 4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is QAMHLCZVOQYLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6/c1-18-6-4-12-26-23(18)20-9-5-13-30(20)16-22-27-19-7-3-8-21(24(19)28-22)31-15-14-29(2)25(17-31)10-11-25/h3-4,6-8,12,20H,5,9-11,13-17H2,1-2H3,(H,27,28).
What are the key properties of 4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole?
4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 416.57 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 145424904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).