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

C25H29N7O — CID 66599577

IUPAC[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone
SMILESCc1cn(-c2cc(C(=O)c3nc4ccc(N5CCC(N(C)C)CC5)cc4[nH]3)ccn2)c(C)n1
InChIInChI=1S/C25H29N7O/c1-16-15-32(17(2)27-16)23-13-18(7-10-26-23)24(33)25-28-21-6-5-20(14-22(21)29-25)31-11-8-19(9-12-31)30(3)4/h5-7,10,13-15,19H,8-9,11-12H2,1-4H3,(H,28,29)
InChIKeyDZRGXXMHDKOOOG-UHFFFAOYSA-N
MW443.56 g/mol
LogP3.52
Rot. Bonds5

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

[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone (PubChem CID 66599577) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone
PubChem CID66599577
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone
SMILESCc1cn(-c2cc(C(=O)c3nc4ccc(N5CCC(N(C)C)CC5)cc4[nH]3)ccn2)c(C)n1
InChIInChI=1S/C25H29N7O/c1-16-15-32(17(2)27-16)23-13-18(7-10-26-23)24(33)25-28-21-6-5-20(14-22(21)29-25)31-11-8-19(9-12-31)30(3)4/h5-7,10,13-15,19H,8-9,11-12H2,1-4H3,(H,28,29)
InChIKeyDZRGXXMHDKOOOG-UHFFFAOYSA-N
XLogP3.52
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.52
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-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone?
The IUPAC name of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone (CID 66599577) is [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone is Cc1cn(-c2cc(C(=O)c3nc4ccc(N5CCC(N(C)C)CC5)cc4[nH]3)ccn2)c(C)n1.
What is the InChIKey of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone?
The InChIKey is DZRGXXMHDKOOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-16-15-32(17(2)27-16)23-13-18(7-10-26-23)24(33)25-28-21-6-5-20(14-22(21)29-25)31-11-8-19(9-12-31)30(3)4/h5-7,10,13-15,19H,8-9,11-12H2,1-4H3,(H,28,29).
What are the key properties of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone?
[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone has a molecular weight of 443.56 g/mol, XLogP of 3.52, 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-(2,4-dimethylimidazol-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 66599577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).