1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one

C19H22N4O3 — CID 110219169

IUPAC1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
SMILESCOc1cc(CCC(=O)N2CCCCC2c2nc3ccccc3[nH]2)on1
InChIInChI=1S/C19H22N4O3/c1-25-17-12-13(26-22-17)9-10-18(24)23-11-5-4-8-16(23)19-20-14-6-2-3-7-15(14)21-19/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H,20,21)
InChIKeyIUWYFVYMZKKPCY-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.25
Rot. Bonds5

About 1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one

1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one (PubChem CID 110219169) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
PubChem CID110219169
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
SMILESCOc1cc(CCC(=O)N2CCCCC2c2nc3ccccc3[nH]2)on1
InChIInChI=1S/C19H22N4O3/c1-25-17-12-13(26-22-17)9-10-18(24)23-11-5-4-8-16(23)19-20-14-6-2-3-7-15(14)21-19/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H,20,21)
InChIKeyIUWYFVYMZKKPCY-UHFFFAOYSA-N
XLogP3.25
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 135963347
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 51270059
3-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72929082
6-[3-[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 124879638
6-[3-[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 124879639
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 40920690
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 40820976
1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 110244580
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 92512790
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
(3aR,7aR)-2-[3-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124787208

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one (CID 110219169) is 1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one is COc1cc(CCC(=O)N2CCCCC2c2nc3ccccc3[nH]2)on1.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one?
The InChIKey is IUWYFVYMZKKPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-25-17-12-13(26-22-17)9-10-18(24)23-11-5-4-8-16(23)19-20-14-6-2-3-7-15(14)21-19/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H,20,21).
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one?
1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one has a molecular weight of 354.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 110219169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).