6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C23H28N6O3 — CID 54019352

IUPAC6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2C1CCN(C2CCCCN2C(=O)c2cncnc2)CC1
InChIInChI=1S/C23H28N6O3/c1-32-18-5-6-20-19(12-18)26-23(31)29(20)17-7-10-27(11-8-17)21-4-2-3-9-28(21)22(30)16-13-24-15-25-14-16/h5-6,12-15,17,21H,2-4,7-11H2,1H3,(H,26,31)
InChIKeyKXVTTXFSDCHUGN-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.42
Rot. Bonds4

About 6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one

6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 54019352) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID54019352
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2C1CCN(C2CCCCN2C(=O)c2cncnc2)CC1
InChIInChI=1S/C23H28N6O3/c1-32-18-5-6-20-19(12-18)26-23(31)29(20)17-7-10-27(11-8-17)21-4-2-3-9-28(21)22(30)16-13-24-15-25-14-16/h5-6,12-15,17,21H,2-4,7-11H2,1H3,(H,26,31)
InChIKeyKXVTTXFSDCHUGN-UHFFFAOYSA-N
XLogP2.42
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54340518
6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471674
3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54325846
3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one
CID 117207067
5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 15839538
methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 91042796
3-[1-[1-[(2S)-2-amino-3-pyridin-3-ylpropanoyl]piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54304920
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792
methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 104626640
3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 138993159
6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261267

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 54019352) is 6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one is COc1ccc2c(c1)[nH]c(=O)n2C1CCN(C2CCCCN2C(=O)c2cncnc2)CC1.
What is the InChIKey of 6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is KXVTTXFSDCHUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-32-18-5-6-20-19(12-18)26-23(31)29(20)17-7-10-27(11-8-17)21-4-2-3-9-28(21)22(30)16-13-24-15-25-14-16/h5-6,12-15,17,21H,2-4,7-11H2,1H3,(H,26,31).
What are the key properties of 6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 436.52 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 54019352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).