2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol

C23H28FN3O — CID 69162804

IUPAC2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol
SMILESCn1c(CN2CCC(c3ccccc3F)CC2)nc2cc(C(C)(C)O)ccc21
InChIInChI=1S/C23H28FN3O/c1-23(2,28)17-8-9-21-20(14-17)25-22(26(21)3)15-27-12-10-16(11-13-27)18-6-4-5-7-19(18)24/h4-9,14,16,28H,10-13,15H2,1-3H3
InChIKeyQEAHIWLYTHUKKK-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.32
Rot. Bonds4

About 2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol

2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol (PubChem CID 69162804) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol
PubChem CID69162804
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol
SMILESCn1c(CN2CCC(c3ccccc3F)CC2)nc2cc(C(C)(C)O)ccc21
InChIInChI=1S/C23H28FN3O/c1-23(2,28)17-8-9-21-20(14-17)25-22(26(21)3)15-27-12-10-16(11-13-27)18-6-4-5-7-19(18)24/h4-9,14,16,28H,10-13,15H2,1-3H3
InChIKeyQEAHIWLYTHUKKK-UHFFFAOYSA-N
XLogP4.32
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol (CID 69162804) is 2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol is Cn1c(CN2CCC(c3ccccc3F)CC2)nc2cc(C(C)(C)O)ccc21.
What is the InChIKey of 2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol?
The InChIKey is QEAHIWLYTHUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-23(2,28)17-8-9-21-20(14-17)25-22(26(21)3)15-27-12-10-16(11-13-27)18-6-4-5-7-19(18)24/h4-9,14,16,28H,10-13,15H2,1-3H3.
What are the key properties of 2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol?
2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol has a molecular weight of 381.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol is sourced from PubChem (CID 69162804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).