[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone

C26H24FN3OS — CID 46091577

IUPAC[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCC(n2c(-c3ccccc3)nc3ccc(F)cc32)CC1
InChIInChI=1S/C26H24FN3OS/c1-32-24-10-6-5-9-21(24)26(31)29-15-13-20(14-16-29)30-23-17-19(27)11-12-22(23)28-25(30)18-7-3-2-4-8-18/h2-12,17,20H,13-16H2,1H3
InChIKeyLHTDTTCPVABSTI-UHFFFAOYSA-N
MW445.56 g/mol
LogP6.04
Rot. Bonds4

About [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone

[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 46091577) has the molecular formula C26H24FN3OS and a molecular weight of 445.56 g/mol. Its IUPAC name is [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID46091577
Molecular FormulaC26H24FN3OS
Molecular Weight445.56 g/mol
Exact Mass445.16
IUPAC Name[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCC(n2c(-c3ccccc3)nc3ccc(F)cc32)CC1
InChIInChI=1S/C26H24FN3OS/c1-32-24-10-6-5-9-21(24)26(31)29-15-13-20(14-16-29)30-23-17-19(27)11-12-22(23)28-25(30)18-7-3-2-4-8-18/h2-12,17,20H,13-16H2,1H3
InChIKeyLHTDTTCPVABSTI-UHFFFAOYSA-N
XLogP6.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 46091534
(3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92767945
[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 46081167
1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 46081187
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 46108984
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 75145339
(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 1469473
2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 46109112
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 129355591
3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 46407972
1-(2-methylsulfanylbenzoyl)piperidine-4-carbonitrile
CID 28665910
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone (CID 46091577) is [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)N1CCC(n2c(-c3ccccc3)nc3ccc(F)cc32)CC1.
What is the InChIKey of [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is LHTDTTCPVABSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3OS/c1-32-24-10-6-5-9-21(24)26(31)29-15-13-20(14-16-29)30-23-17-19(27)11-12-22(23)28-25(30)18-7-3-2-4-8-18/h2-12,17,20H,13-16H2,1H3.
What are the key properties of [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone?
[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 445.56 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 46091577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).