[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone

C24H27N7O — CID 66599559

IUPAC[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone
SMILESCc1cncn1-c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)ccn1
InChIInChI=1S/C24H27N7O/c1-16-14-25-15-31(16)22-12-17(6-9-26-22)23(32)24-27-20-5-4-19(13-21(20)28-24)30-10-7-18(8-11-30)29(2)3/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,28)
InChIKeyIQPVSLCPAZZNAH-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.21
Rot. Bonds5

About [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone

[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone (PubChem CID 66599559) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone
PubChem CID66599559
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone
SMILESCc1cncn1-c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)ccn1
InChIInChI=1S/C24H27N7O/c1-16-14-25-15-31(16)22-12-17(6-9-26-22)23(32)24-27-20-5-4-19(13-21(20)28-24)30-10-7-18(8-11-30)29(2)3/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,28)
InChIKeyIQPVSLCPAZZNAH-UHFFFAOYSA-N
XLogP3.21
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone?
The IUPAC name of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone (CID 66599559) is [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone is Cc1cncn1-c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)ccn1.
What is the InChIKey of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone?
The InChIKey is IQPVSLCPAZZNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-16-14-25-15-31(16)22-12-17(6-9-26-22)23(32)24-27-20-5-4-19(13-21(20)28-24)30-10-7-18(8-11-30)29(2)3/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,28).
What are the key properties of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone?
[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone has a molecular weight of 429.53 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(5-methylimidazol-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 66599559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).