3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one

C20H22N4O — CID 99956601

IUPAC3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
SMILESO=C(CCc1nc2ccccc2[nH]1)N1CCCC[C@H]1c1ccccn1
InChIInChI=1S/C20H22N4O/c25-20(12-11-19-22-15-7-1-2-8-16(15)23-19)24-14-6-4-10-18(24)17-9-3-5-13-21-17/h1-3,5,7-9,13,18H,4,6,10-12,14H2,(H,22,23)/t18-/m0/s1
InChIKeyFMTUDVHOCFBTFR-SFHVURJKSA-N
MW334.42 g/mol
LogP3.64
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one

3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one (PubChem CID 99956601) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
PubChem CID99956601
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
SMILESO=C(CCc1nc2ccccc2[nH]1)N1CCCC[C@H]1c1ccccn1
InChIInChI=1S/C20H22N4O/c25-20(12-11-19-22-15-7-1-2-8-16(15)23-19)24-14-6-4-10-18(24)17-9-3-5-13-21-17/h1-3,5,7-9,13,18H,4,6,10-12,14H2,(H,22,23)/t18-/m0/s1
InChIKeyFMTUDVHOCFBTFR-SFHVURJKSA-N
XLogP3.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99956598
3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137208112
3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 125018164
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
4,6-dimethyl-5-[3-oxo-3-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propyl]-1H-pyrimidin-2-one
CID 99947148
3-(1H-benzimidazol-2-yl)-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propan-1-one
CID 25356275
1-[3-(1H-benzimidazol-2-yl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 167883500
3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99947323
3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 146091189
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 154889381
4-(1H-benzimidazol-2-yl)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]butan-1-one
CID 75404741

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one (CID 99956601) is 3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one is O=C(CCc1nc2ccccc2[nH]1)N1CCCC[C@H]1c1ccccn1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one?
The InChIKey is FMTUDVHOCFBTFR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(12-11-19-22-15-7-1-2-8-16(15)23-19)24-14-6-4-10-18(24)17-9-3-5-13-21-17/h1-3,5,7-9,13,18H,4,6,10-12,14H2,(H,22,23)/t18-/m0/s1.
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one?
3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one has a molecular weight of 334.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 99956601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).