[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone

C22H21N3O2 — CID 51478181

IUPAC[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H21N3O2/c26-22(17-12-15-6-1-4-10-20(15)27-14-17)25-11-5-7-16(13-25)21-23-18-8-2-3-9-19(18)24-21/h1-4,6,8-10,12,16H,5,7,11,13-14H2,(H,23,24)/t16-/m1/s1
InChIKeyRGFIXZGTLJYTAC-MRXNPFEDSA-N
MW359.43 g/mol
LogP3.74
Rot. Bonds2

About [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone

[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone (PubChem CID 51478181) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone
PubChem CID51478181
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H21N3O2/c26-22(17-12-15-6-1-4-10-20(15)27-14-17)25-11-5-7-16(13-25)21-23-18-8-2-3-9-19(18)24-21/h1-4,6,8-10,12,16H,5,7,11,13-14H2,(H,23,24)/t16-/m1/s1
InChIKeyRGFIXZGTLJYTAC-MRXNPFEDSA-N
XLogP3.74
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124969421
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110258855
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone?
The IUPAC name of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone (CID 51478181) is [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone?
The canonical SMILES for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone is O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone?
The InChIKey is RGFIXZGTLJYTAC-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22(17-12-15-6-1-4-10-20(15)27-14-17)25-11-5-7-16(13-25)21-23-18-8-2-3-9-19(18)24-21/h1-4,6,8-10,12,16H,5,7,11,13-14H2,(H,23,24)/t16-/m1/s1.
What are the key properties of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone?
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone has a molecular weight of 359.43 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone is sourced from PubChem (CID 51478181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).