[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone

C24H26N4O2 — CID 91947132

IUPAC[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone
SMILESCn1c(C2CCCN(C(=O)C3(C)CC(c4ccccc4)=NO3)C2)nc2ccccc21
InChIInChI=1S/C24H26N4O2/c1-24(15-20(26-30-24)17-9-4-3-5-10-17)23(29)28-14-8-11-18(16-28)22-25-19-12-6-7-13-21(19)27(22)2/h3-7,9-10,12-13,18H,8,11,14-16H2,1-2H3
InChIKeySUSMVGHVRJQIGR-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.86
Rot. Bonds3

About [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone (PubChem CID 91947132) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone
PubChem CID91947132
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone
SMILESCn1c(C2CCCN(C(=O)C3(C)CC(c4ccccc4)=NO3)C2)nc2ccccc21
InChIInChI=1S/C24H26N4O2/c1-24(15-20(26-30-24)17-9-4-3-5-10-17)23(29)28-14-8-11-18(16-28)22-25-19-12-6-7-13-21(19)27(22)2/h3-7,9-10,12-13,18H,8,11,14-16H2,1-2H3
InChIKeySUSMVGHVRJQIGR-UHFFFAOYSA-N
XLogP3.86
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
CID 97465776
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 91946978
[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 97465565
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 91947147
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46974543
3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one
CID 91947042
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone (CID 91947132) is [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone is Cn1c(C2CCCN(C(=O)C3(C)CC(c4ccccc4)=NO3)C2)nc2ccccc21.
What is the InChIKey of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone?
The InChIKey is SUSMVGHVRJQIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-24(15-20(26-30-24)17-9-4-3-5-10-17)23(29)28-14-8-11-18(16-28)22-25-19-12-6-7-13-21(19)27(22)2/h3-7,9-10,12-13,18H,8,11,14-16H2,1-2H3.
What are the key properties of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone?
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone has a molecular weight of 402.50 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 91947132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).