[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone

C31H27FN4O — CID 129453909

IUPAC[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
SMILESCc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2n1-c1ccccc1
InChIInChI=1S/C31H27FN4O/c1-21-33-29-19-23(14-17-30(29)36(21)26-8-3-2-4-9-26)31(37)35-18-6-7-24(20-35)28-11-5-10-27(34-28)22-12-15-25(32)16-13-22/h2-5,8-17,19,24H,6-7,18,20H2,1H3/t24-/m1/s1
InChIKeyCCISWWIFUDNOQF-XMMPIXPASA-N
MW490.58 g/mol
LogP6.55
Rot. Bonds4

About [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone

[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone (PubChem CID 129453909) has the molecular formula C31H27FN4O and a molecular weight of 490.58 g/mol. Its IUPAC name is [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
PubChem CID129453909
Molecular FormulaC31H27FN4O
Molecular Weight490.58 g/mol
Exact Mass490.22
IUPAC Name[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
SMILESCc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2n1-c1ccccc1
InChIInChI=1S/C31H27FN4O/c1-21-33-29-19-23(14-17-30(29)36(21)26-8-3-2-4-9-26)31(37)35-18-6-7-24(20-35)28-11-5-10-27(34-28)22-12-15-25(32)16-13-22/h2-5,8-17,19,24H,6-7,18,20H2,1H3/t24-/m1/s1
InChIKeyCCISWWIFUDNOQF-XMMPIXPASA-N
XLogP6.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone with MolForge

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Related Compounds

[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 110075948
(2-methyl-1-phenylbenzimidazol-5-yl)-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129454471
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
[3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110255959
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 119637364
[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone
CID 95816737
[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 125017299
2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 55656773
1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone?
The IUPAC name of [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone (CID 129453909) is [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone is Cc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2n1-c1ccccc1.
What is the InChIKey of [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone?
The InChIKey is CCISWWIFUDNOQF-XMMPIXPASA-N. The full InChI is InChI=1S/C31H27FN4O/c1-21-33-29-19-23(14-17-30(29)36(21)26-8-3-2-4-9-26)31(37)35-18-6-7-24(20-35)28-11-5-10-27(34-28)22-12-15-25(32)16-13-22/h2-5,8-17,19,24H,6-7,18,20H2,1H3/t24-/m1/s1.
What are the key properties of [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone?
[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone has a molecular weight of 490.58 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 129453909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).