4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole

C17H20N4O — CID 70723239

IUPAC4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCCC(c3nc4ccccc4[nH]3)C2)co1
InChIInChI=1S/C17H20N4O/c1-12-18-14(11-22-12)10-21-8-4-5-13(9-21)17-19-15-6-2-3-7-16(15)20-17/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,19,20)
InChIKeyYTSDTVYUHWXMEX-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.24
Rot. Bonds3

About 4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole

4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 70723239) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID70723239
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCCC(c3nc4ccccc4[nH]3)C2)co1
InChIInChI=1S/C17H20N4O/c1-12-18-14(11-22-12)10-21-8-4-5-13(9-21)17-19-15-6-2-3-7-16(15)20-17/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,19,20)
InChIKeyYTSDTVYUHWXMEX-UHFFFAOYSA-N
XLogP3.24
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 16802957
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 43981509
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole
CID 56852354
2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 70752239
2-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 16802949
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 93237874
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 118770411

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 70723239) is 4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(CN2CCCC(c3nc4ccccc4[nH]3)C2)co1.
What is the InChIKey of 4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is YTSDTVYUHWXMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-18-14(11-22-12)10-21-8-4-5-13(9-21)17-19-15-6-2-3-7-16(15)20-17/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,19,20).
What are the key properties of 4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 296.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 70723239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).