[2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone

C27H27N7O — CID 66599713

IUPAC[2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone
SMILESCN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(-n5cnc6ccccc65)c4)[nH]c3c2)CC1
InChIInChI=1S/C27H27N7O/c1-32(2)19-10-13-33(14-11-19)20-7-8-21-23(16-20)31-27(30-21)26(35)18-9-12-28-25(15-18)34-17-29-22-5-3-4-6-24(22)34/h3-9,12,15-17,19H,10-11,13-14H2,1-2H3,(H,30,31)
InChIKeySCTPOSMZFADLDT-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.06
Rot. Bonds5

About [2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone

[2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone (PubChem CID 66599713) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is [2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone.

Molecular Properties

Compound Name[2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone
PubChem CID66599713
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name[2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone
SMILESCN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(-n5cnc6ccccc65)c4)[nH]c3c2)CC1
InChIInChI=1S/C27H27N7O/c1-32(2)19-10-13-33(14-11-19)20-7-8-21-23(16-20)31-27(30-21)26(35)18-9-12-28-25(15-18)34-17-29-22-5-3-4-6-24(22)34/h3-9,12,15-17,19H,10-11,13-14H2,1-2H3,(H,30,31)
InChIKeySCTPOSMZFADLDT-UHFFFAOYSA-N
XLogP4.06
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone?
The IUPAC name of [2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone (CID 66599713) is [2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone.
What is the SMILES notation for [2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone?
The canonical SMILES for [2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone is CN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(-n5cnc6ccccc65)c4)[nH]c3c2)CC1.
What is the InChIKey of [2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone?
The InChIKey is SCTPOSMZFADLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-32(2)19-10-13-33(14-11-19)20-7-8-21-23(16-20)31-27(30-21)26(35)18-9-12-28-25(15-18)34-17-29-22-5-3-4-6-24(22)34/h3-9,12,15-17,19H,10-11,13-14H2,1-2H3,(H,30,31).
What are the key properties of [2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone?
[2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone has a molecular weight of 465.56 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone is sourced from PubChem (CID 66599713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).