[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone

C20H21N3O — CID 25352744

IUPAC[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C20H21N3O/c1-14-6-4-7-15(12-14)20(24)23-11-5-8-16(13-23)19-21-17-9-2-3-10-18(17)22-19/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyHYJIKPROCUJWEN-INIZCTEOSA-N
MW319.41 g/mol
LogP3.89
Rot. Bonds2

About [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone

[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 25352744) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
PubChem CID25352744
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C20H21N3O/c1-14-6-4-7-15(12-14)20(24)23-11-5-8-16(13-23)19-21-17-9-2-3-10-18(17)22-19/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyHYJIKPROCUJWEN-INIZCTEOSA-N
XLogP3.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(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]-(3-nitrophenyl)methanone
CID 42932421
3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 44754575
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone
CID 91946798
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 42932458
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 70769742
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 155967933
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one
CID 70782693
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51928971

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone (CID 25352744) is [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is HYJIKPROCUJWEN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-6-4-7-15(12-14)20(24)23-11-5-8-16(13-23)19-21-17-9-2-3-10-18(17)22-19/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone?
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 319.41 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 25352744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).