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

C24H30N6O2 — CID 54340518

IUPAC7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCc1cccc2c1[nH]c(=O)n2C1CCN(C2CCCCN2C(=O)c2cncnc2)CC1
InChIInChI=1S/C24H30N6O2/c1-2-17-6-5-7-20-22(17)27-24(32)30(20)19-9-12-28(13-10-19)21-8-3-4-11-29(21)23(31)18-14-25-16-26-15-18/h5-7,14-16,19,21H,2-4,8-13H2,1H3,(H,27,32)
InChIKeyTYPQUXSHHYDHPT-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.97
Rot. Bonds4

About 7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one

7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 54340518) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID54340518
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCc1cccc2c1[nH]c(=O)n2C1CCN(C2CCCCN2C(=O)c2cncnc2)CC1
InChIInChI=1S/C24H30N6O2/c1-2-17-6-5-7-20-22(17)27-24(32)30(20)19-9-12-28(13-10-19)21-8-3-4-11-29(21)23(31)18-14-25-16-26-15-18/h5-7,14-16,19,21H,2-4,8-13H2,1H3,(H,27,32)
InChIKeyTYPQUXSHHYDHPT-UHFFFAOYSA-N
XLogP2.97
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54019352
3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54325846
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
6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471674
5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 15839538
7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206376
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 104629891
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69176194
4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 69314248
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 155679397
7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 69091210

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 54340518) is 7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one is CCc1cccc2c1[nH]c(=O)n2C1CCN(C2CCCCN2C(=O)c2cncnc2)CC1.
What is the InChIKey of 7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is TYPQUXSHHYDHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-2-17-6-5-7-20-22(17)27-24(32)30(20)19-9-12-28(13-10-19)21-8-3-4-11-29(21)23(31)18-14-25-16-26-15-18/h5-7,14-16,19,21H,2-4,8-13H2,1H3,(H,27,32).
What are the key properties of 7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 434.54 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 54340518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).