(2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol

C18H23N5O — CID 142746404

IUPAC(2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(-c3cn[nH]c3)cc21
InChIInChI=1S/C18H23N5O/c24-18-4-1-7-19-16(18)3-2-8-23-12-20-15-6-5-13(9-17(15)23)14-10-21-22-11-14/h5-6,9-12,16,18-19,24H,1-4,7-8H2,(H,21,22)/t16-,18+/m1/s1
InChIKeyFHCAOUSAISGXMW-AEFFLSMTSA-N
MW325.42 g/mol
LogP2.32
Rot. Bonds5

About (2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol

(2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol (PubChem CID 142746404) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol
PubChem CID142746404
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(-c3cn[nH]c3)cc21
InChIInChI=1S/C18H23N5O/c24-18-4-1-7-19-16(18)3-2-8-23-12-20-15-6-5-13(9-17(15)23)14-10-21-22-11-14/h5-6,9-12,16,18-19,24H,1-4,7-8H2,(H,21,22)/t16-,18+/m1/s1
InChIKeyFHCAOUSAISGXMW-AEFFLSMTSA-N
XLogP2.32
TPSA78.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol (CID 142746404) is (2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol is O[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(-c3cn[nH]c3)cc21.
What is the InChIKey of (2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The InChIKey is FHCAOUSAISGXMW-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18-4-1-7-19-16(18)3-2-8-23-12-20-15-6-5-13(9-17(15)23)14-10-21-22-11-14/h5-6,9-12,16,18-19,24H,1-4,7-8H2,(H,21,22)/t16-,18+/m1/s1.
What are the key properties of (2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol?
(2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol has a molecular weight of 325.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[3-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol is sourced from PubChem (CID 142746404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).