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

C23H28N6O2 — CID 15839538

IUPAC5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(C3CCN(C4CCN(C(=O)c5cncnc5)CC4)CC3)c2c1
InChIInChI=1S/C23H28N6O2/c1-16-2-3-20-21(12-16)29(23(31)26-20)19-6-8-27(9-7-19)18-4-10-28(11-5-18)22(30)17-13-24-15-25-14-17/h2-3,12-15,18-19H,4-11H2,1H3,(H,26,31)
InChIKeyFNOPMQNUQPAKJC-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.37
Rot. Bonds3

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

5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 15839538) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID15839538
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(C3CCN(C4CCN(C(=O)c5cncnc5)CC4)CC3)c2c1
InChIInChI=1S/C23H28N6O2/c1-16-2-3-20-21(12-16)29(23(31)26-20)19-6-8-27(9-7-19)18-4-10-28(11-5-18)22(30)17-13-24-15-25-14-17/h2-3,12-15,18-19H,4-11H2,1H3,(H,26,31)
InChIKeyFNOPMQNUQPAKJC-UHFFFAOYSA-N
XLogP2.37
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 15839538) is 5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccc2[nH]c(=O)n(C3CCN(C4CCN(C(=O)c5cncnc5)CC4)CC3)c2c1.
What is the InChIKey of 5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is FNOPMQNUQPAKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16-2-3-20-21(12-16)29(23(31)26-20)19-6-8-27(9-7-19)18-4-10-28(11-5-18)22(30)17-13-24-15-25-14-17/h2-3,12-15,18-19H,4-11H2,1H3,(H,26,31).
What are the key properties of 5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 420.52 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 15839538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).