3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one

C19H23N5O — CID 166247184

IUPAC3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1cnc[nH]1)N1CCN(Cc2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H23N5O/c25-19(6-5-16-12-20-14-21-16)24-9-7-23(8-10-24)13-17-11-15-3-1-2-4-18(15)22-17/h1-4,11-12,14,22H,5-10,13H2,(H,20,21)
InChIKeyMRQIVZZUYACRGB-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.17
Rot. Bonds5

About 3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one

3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 166247184) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID166247184
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1cnc[nH]1)N1CCN(Cc2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H23N5O/c25-19(6-5-16-12-20-14-21-16)24-9-7-23(8-10-24)13-17-11-15-3-1-2-4-18(15)22-17/h1-4,11-12,14,22H,5-10,13H2,(H,20,21)
InChIKeyMRQIVZZUYACRGB-UHFFFAOYSA-N
XLogP2.17
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one (CID 166247184) is 3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one is O=C(CCc1cnc[nH]1)N1CCN(Cc2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is MRQIVZZUYACRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-19(6-5-16-12-20-14-21-16)24-9-7-23(8-10-24)13-17-11-15-3-1-2-4-18(15)22-17/h1-4,11-12,14,22H,5-10,13H2,(H,20,21).
What are the key properties of 3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one?
3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 337.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 166247184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).