2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

C24H28N6O2 — CID 47045303

IUPAC2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(Cn1c(=O)n(C2=CCCCC2)c2ccccc21)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H28N6O2/c31-22(27-18-11-15-28(16-12-18)23-25-13-6-14-26-23)17-29-20-9-4-5-10-21(20)30(24(29)32)19-7-2-1-3-8-19/h4-7,9-10,13-14,18H,1-3,8,11-12,15-17H2,(H,27,31)
InChIKeyVJKTXPCQDUFCHX-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.79
Rot. Bonds5

About 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (PubChem CID 47045303) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
PubChem CID47045303
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(Cn1c(=O)n(C2=CCCCC2)c2ccccc21)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H28N6O2/c31-22(27-18-11-15-28(16-12-18)23-25-13-6-14-26-23)17-29-20-9-4-5-10-21(20)30(24(29)32)19-7-2-1-3-8-19/h4-7,9-10,13-14,18H,1-3,8,11-12,15-17H2,(H,27,31)
InChIKeyVJKTXPCQDUFCHX-UHFFFAOYSA-N
XLogP2.79
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 47058980
2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 47048160
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 47035376
2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 47047269
2-(4-phenylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55721980
2,2-diphenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705535
2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 140936797
2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705364
2-(2,5-dimethylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 154779927
2-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569240
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (CID 47045303) is 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is O=C(Cn1c(=O)n(C2=CCCCC2)c2ccccc21)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is VJKTXPCQDUFCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c31-22(27-18-11-15-28(16-12-18)23-25-13-6-14-26-23)17-29-20-9-4-5-10-21(20)30(24(29)32)19-7-2-1-3-8-19/h4-7,9-10,13-14,18H,1-3,8,11-12,15-17H2,(H,27,31).
What are the key properties of 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 432.53 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 47045303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).