3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide

C24H30FN5O2 — CID 124950829

IUPAC3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide
SMILESCCc1nc2ccccc2n1CCC(=O)N(C)C[C@@]1(O)CCCN(c2ccc(F)cn2)C1
InChIInChI=1S/C24H30FN5O2/c1-3-21-27-19-7-4-5-8-20(19)30(21)14-11-23(31)28(2)16-24(32)12-6-13-29(17-24)22-10-9-18(25)15-26-22/h4-5,7-10,15,32H,3,6,11-14,16-17H2,1-2H3/t24-/m0/s1
InChIKeyDEFGTXVGNQVBML-DEOSSOPVSA-N
MW439.54 g/mol
LogP3.01
Rot. Bonds7

About 3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide

3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide (PubChem CID 124950829) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is 3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide
PubChem CID124950829
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide
SMILESCCc1nc2ccccc2n1CCC(=O)N(C)C[C@@]1(O)CCCN(c2ccc(F)cn2)C1
InChIInChI=1S/C24H30FN5O2/c1-3-21-27-19-7-4-5-8-20(19)30(21)14-11-23(31)28(2)16-24(32)12-6-13-29(17-24)22-10-9-18(25)15-26-22/h4-5,7-10,15,32H,3,6,11-14,16-17H2,1-2H3/t24-/m0/s1
InChIKeyDEFGTXVGNQVBML-DEOSSOPVSA-N
XLogP3.01
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide?
The IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide (CID 124950829) is 3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide is CCc1nc2ccccc2n1CCC(=O)N(C)C[C@@]1(O)CCCN(c2ccc(F)cn2)C1.
What is the InChIKey of 3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide?
The InChIKey is DEFGTXVGNQVBML-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-3-21-27-19-7-4-5-8-20(19)30(21)14-11-23(31)28(2)16-24(32)12-6-13-29(17-24)22-10-9-18(25)15-26-22/h4-5,7-10,15,32H,3,6,11-14,16-17H2,1-2H3/t24-/m0/s1.
What are the key properties of 3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide?
3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide has a molecular weight of 439.54 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 124950829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).