2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole

C21H22FN7 — CID 46986094

IUPAC2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole
SMILESCc1nn(C)cc1-c1ccnc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1
InChIInChI=1S/C21H22FN7/c1-13-16(12-28(2)27-13)17-5-8-23-21(26-17)29-9-6-14(7-10-29)20-24-18-4-3-15(22)11-19(18)25-20/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,24,25)
InChIKeyXLZNPWWXPDOLBI-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.58
Rot. Bonds3

About 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole

2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole (PubChem CID 46986094) has the molecular formula C21H22FN7 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole
PubChem CID46986094
Molecular FormulaC21H22FN7
Molecular Weight391.45 g/mol
Exact Mass391.19
IUPAC Name2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole
SMILESCc1nn(C)cc1-c1ccnc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1
InChIInChI=1S/C21H22FN7/c1-13-16(12-28(2)27-13)17-5-8-23-21(26-17)29-9-6-14(7-10-29)20-24-18-4-3-15(22)11-19(18)25-20/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,24,25)
InChIKeyXLZNPWWXPDOLBI-UHFFFAOYSA-N
XLogP3.58
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole with MolForge

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Related Compounds

2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole
CID 46994966
ethyl 1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 66503068
8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 176501441
4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 72846151
N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid
CID 172913026
4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine
CID 46988994
6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 91834299
2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline
CID 45192143
2-(3-fluorophenyl)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]ethanone
CID 92566757
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 118761658
2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
CID 77082878
1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 70726537

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole (CID 46986094) is 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole is Cc1nn(C)cc1-c1ccnc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1.
What is the InChIKey of 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole?
The InChIKey is XLZNPWWXPDOLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7/c1-13-16(12-28(2)27-13)17-5-8-23-21(26-17)29-9-6-14(7-10-29)20-24-18-4-3-15(22)11-19(18)25-20/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,24,25).
What are the key properties of 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole?
2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole has a molecular weight of 391.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 46986094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).