[2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone

C24H24N6O2 — CID 56680003

IUPAC[2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCN(c3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C24H24N6O2/c1-32-21-9-5-2-6-18(21)22(31)16-14-25-23(26-15-16)27-17-10-12-30(13-11-17)24-28-19-7-3-4-8-20(19)29-24/h2-9,14-15,17H,10-13H2,1H3,(H,28,29)(H,25,26,27)
InChIKeyWRWBEOKKFSBSLE-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.67
Rot. Bonds6

About [2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone

[2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone (PubChem CID 56680003) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is [2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone
PubChem CID56680003
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name[2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCN(c3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C24H24N6O2/c1-32-21-9-5-2-6-18(21)22(31)16-14-25-23(26-15-16)27-17-10-12-30(13-11-17)24-28-19-7-3-4-8-20(19)29-24/h2-9,14-15,17H,10-13H2,1H3,(H,28,29)(H,25,26,27)
InChIKeyWRWBEOKKFSBSLE-UHFFFAOYSA-N
XLogP3.67
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone (CID 56680003) is [2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1cnc(NC2CCN(c3nc4ccccc4[nH]3)CC2)nc1.
What is the InChIKey of [2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
The InChIKey is WRWBEOKKFSBSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-32-21-9-5-2-6-18(21)22(31)16-14-25-23(26-15-16)27-17-10-12-30(13-11-17)24-28-19-7-3-4-8-20(19)29-24/h2-9,14-15,17H,10-13H2,1H3,(H,28,29)(H,25,26,27).
What are the key properties of [2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
[2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone has a molecular weight of 428.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 56680003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).