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

C26H30FN3O — CID 46081167

IUPAC[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC(n3c(-c4ccccc4)nc4ccc(F)cc43)CC2)CC1
InChIInChI=1S/C26H30FN3O/c1-18-7-9-20(10-8-18)26(31)29-15-13-22(14-16-29)30-24-17-21(27)11-12-23(24)28-25(30)19-5-3-2-4-6-19/h2-6,11-12,17-18,20,22H,7-10,13-16H2,1H3
InChIKeyBNXLIFAABQTACB-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.83
Rot. Bonds3

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

[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone (PubChem CID 46081167) has the molecular formula C26H30FN3O and a molecular weight of 419.54 g/mol. Its IUPAC name is [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
PubChem CID46081167
Molecular FormulaC26H30FN3O
Molecular Weight419.54 g/mol
Exact Mass419.24
IUPAC Name[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC(n3c(-c4ccccc4)nc4ccc(F)cc43)CC2)CC1
InChIInChI=1S/C26H30FN3O/c1-18-7-9-20(10-8-18)26(31)29-15-13-22(14-16-29)30-24-17-21(27)11-12-23(24)28-25(30)19-5-3-2-4-6-19/h2-6,11-12,17-18,20,22H,7-10,13-16H2,1H3
InChIKeyBNXLIFAABQTACB-UHFFFAOYSA-N
XLogP5.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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]-(2-methylsulfanylphenyl)methanone
CID 46091577
1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 46081187
cyclopropyl-[(3S)-3-[[6-fluoro-2-[4-(4-fluorophenyl)phenyl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 66579825
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 75145339
2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 46109112
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 46108984
1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000581
1-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[3-(dimethylsulfamoylamino)phenyl]phenyl]-6-fluorobenzimidazole
CID 77148169
[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone
CID 21050324
1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole
CID 155530085

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone?
The IUPAC name of [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone (CID 46081167) is [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone.
What is the SMILES notation for [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone?
The canonical SMILES for [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CCC(n3c(-c4ccccc4)nc4ccc(F)cc43)CC2)CC1.
What is the InChIKey of [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone?
The InChIKey is BNXLIFAABQTACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O/c1-18-7-9-20(10-8-18)26(31)29-15-13-22(14-16-29)30-24-17-21(27)11-12-23(24)28-25(30)19-5-3-2-4-6-19/h2-6,11-12,17-18,20,22H,7-10,13-16H2,1H3.
What are the key properties of [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone?
[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone has a molecular weight of 419.54 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 46081167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).