1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone

C26H25N5O — CID 58547341

IUPAC1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCC(c2ncccc2N2CCc3ccccc32)CC1
InChIInChI=1S/C26H25N5O/c32-26(25-28-20-7-2-3-8-21(20)29-25)30-15-11-19(12-16-30)24-23(10-5-14-27-24)31-17-13-18-6-1-4-9-22(18)31/h1-10,14,19H,11-13,15-17H2,(H,28,29)
InChIKeyFIYWDHKIBDADCL-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.67
Rot. Bonds3

About 1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone

1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 58547341) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID58547341
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCC(c2ncccc2N2CCc3ccccc32)CC1
InChIInChI=1S/C26H25N5O/c32-26(25-28-20-7-2-3-8-21(20)29-25)30-15-11-19(12-16-30)24-23(10-5-14-27-24)31-17-13-18-6-1-4-9-22(18)31/h1-10,14,19H,11-13,15-17H2,(H,28,29)
InChIKeyFIYWDHKIBDADCL-UHFFFAOYSA-N
XLogP4.67
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

aziridin-1-yl(1H-benzimidazol-2-yl)methanone
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1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 126428921
3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one
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CID 58547040
1H-benzimidazol-2-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
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CID 58546995
1H-benzimidazol-2-yl-[4-[(3-nitro-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 159318519
1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 46909812
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
CID 138034009
1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 67477462
1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone (CID 58547341) is 1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CCC(c2ncccc2N2CCc3ccccc32)CC1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is FIYWDHKIBDADCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c32-26(25-28-20-7-2-3-8-21(20)29-25)30-15-11-19(12-16-30)24-23(10-5-14-27-24)31-17-13-18-6-1-4-9-22(18)31/h1-10,14,19H,11-13,15-17H2,(H,28,29).
What are the key properties of 1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone?
1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 423.52 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 58547341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).