[(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol

C24H30N4O — CID 95147482

IUPAC[(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
SMILESCCc1ccc(-c2c(-c3ccccc3)ncn2CCN2CCC[C@H](CO)C2)nc1
InChIInChI=1S/C24H30N4O/c1-2-19-10-11-22(25-15-19)24-23(21-8-4-3-5-9-21)26-18-28(24)14-13-27-12-6-7-20(16-27)17-29/h3-5,8-11,15,18,20,29H,2,6-7,12-14,16-17H2,1H3/t20-/m0/s1
InChIKeyPPFDPRDXZMTMJV-FQEVSTJZSA-N
MW390.53 g/mol
LogP3.88
Rot. Bonds7

About [(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol

[(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol (PubChem CID 95147482) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is [(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
PubChem CID95147482
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name[(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
SMILESCCc1ccc(-c2c(-c3ccccc3)ncn2CCN2CCC[C@H](CO)C2)nc1
InChIInChI=1S/C24H30N4O/c1-2-19-10-11-22(25-15-19)24-23(21-8-4-3-5-9-21)26-18-28(24)14-13-27-12-6-7-20(16-27)17-29/h3-5,8-11,15,18,20,29H,2,6-7,12-14,16-17H2,1H3/t20-/m0/s1
InChIKeyPPFDPRDXZMTMJV-FQEVSTJZSA-N
XLogP3.88
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol (CID 95147482) is [(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol is CCc1ccc(-c2c(-c3ccccc3)ncn2CCN2CCC[C@H](CO)C2)nc1.
What is the InChIKey of [(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol?
The InChIKey is PPFDPRDXZMTMJV-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N4O/c1-2-19-10-11-22(25-15-19)24-23(21-8-4-3-5-9-21)26-18-28(24)14-13-27-12-6-7-20(16-27)17-29/h3-5,8-11,15,18,20,29H,2,6-7,12-14,16-17H2,1H3/t20-/m0/s1.
What are the key properties of [(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol?
[(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol has a molecular weight of 390.53 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95147482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).