2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide

C18H21N7O2 — CID 72852161

IUPAC2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide
SMILESCc1nc2ncccn2c1C(=O)N1CCC(c2nccn2CC(N)=O)CC1
InChIInChI=1S/C18H21N7O2/c1-12-15(25-7-2-5-21-18(25)22-12)17(27)23-8-3-13(4-9-23)16-20-6-10-24(16)11-14(19)26/h2,5-7,10,13H,3-4,8-9,11H2,1H3,(H2,19,26)
InChIKeyVOUOJHQEYIVTAC-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.74
Rot. Bonds4

About 2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide

2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide (PubChem CID 72852161) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide
PubChem CID72852161
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide
SMILESCc1nc2ncccn2c1C(=O)N1CCC(c2nccn2CC(N)=O)CC1
InChIInChI=1S/C18H21N7O2/c1-12-15(25-7-2-5-21-18(25)22-12)17(27)23-8-3-13(4-9-23)16-20-6-10-24(16)11-14(19)26/h2,5-7,10,13H,3-4,8-9,11H2,1H3,(H2,19,26)
InChIKeyVOUOJHQEYIVTAC-UHFFFAOYSA-N
XLogP0.74
TPSA111.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide (CID 72852161) is 2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide is Cc1nc2ncccn2c1C(=O)N1CCC(c2nccn2CC(N)=O)CC1.
What is the InChIKey of 2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The InChIKey is VOUOJHQEYIVTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-12-15(25-7-2-5-21-18(25)22-12)17(27)23-8-3-13(4-9-23)16-20-6-10-24(16)11-14(19)26/h2,5-7,10,13H,3-4,8-9,11H2,1H3,(H2,19,26).
What are the key properties of 2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide?
2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72852161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).