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

C22H25N7 — CID 46994966

IUPAC2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C3CCN(c4nccc(-c5cn(C)nc5C)n4)CC3)[nH]c2c1
InChIInChI=1S/C22H25N7/c1-14-4-5-19-20(12-14)25-21(24-19)16-7-10-29(11-8-16)22-23-9-6-18(26-22)17-13-28(3)27-15(17)2/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H,24,25)
InChIKeyBPLSUIDMJOEZIL-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.75
Rot. Bonds3

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

2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole (PubChem CID 46994966) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole
PubChem CID46994966
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C3CCN(c4nccc(-c5cn(C)nc5C)n4)CC3)[nH]c2c1
InChIInChI=1S/C22H25N7/c1-14-4-5-19-20(12-14)25-21(24-19)16-7-10-29(11-8-16)22-23-9-6-18(26-22)17-13-28(3)27-15(17)2/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H,24,25)
InChIKeyBPLSUIDMJOEZIL-UHFFFAOYSA-N
XLogP3.75
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-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-fluoro-1H-benzimidazole
CID 46986094
ethyl 1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 66503068
6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine
CID 108774131
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278628
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile
CID 118784728
6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 108774137
6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 108774133
6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
CID 61311575
2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
CID 63399500
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole (CID 46994966) is 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole is Cc1ccc2nc(C3CCN(c4nccc(-c5cn(C)nc5C)n4)CC3)[nH]c2c1.
What is the InChIKey of 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole?
The InChIKey is BPLSUIDMJOEZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-14-4-5-19-20(12-14)25-21(24-19)16-7-10-29(11-8-16)22-23-9-6-18(26-22)17-13-28(3)27-15(17)2/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H,24,25).
What are the key properties of 2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole?
2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-methyl-1H-benzimidazole has a molecular weight of 387.49 g/mol, XLogP of 3.75, 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-methyl-1H-benzimidazole is sourced from PubChem (CID 46994966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).