1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

C21H29ClN4O — CID 11741028

IUPAC1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCC(c3c[nH]c4cc(Cl)ccc34)CC2)C1=O
InChIInChI=1S/C21H29ClN4O/c1-15(2)26-12-11-25(21(26)27)10-9-24-7-5-16(6-8-24)19-14-23-20-13-17(22)3-4-18(19)20/h3-4,13-16,23H,5-12H2,1-2H3
InChIKeyLSMDWDOOOHZEDU-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.15
Rot. Bonds5

About 1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 11741028) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is 1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID11741028
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCC(c3c[nH]c4cc(Cl)ccc34)CC2)C1=O
InChIInChI=1S/C21H29ClN4O/c1-15(2)26-12-11-25(21(26)27)10-9-24-7-5-16(6-8-24)19-14-23-20-13-17(22)3-4-18(19)20/h3-4,13-16,23H,5-12H2,1-2H3
InChIKeyLSMDWDOOOHZEDU-UHFFFAOYSA-N
XLogP4.15
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 11741028) is 1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is CC(C)N1CCN(CCN2CCC(c3c[nH]c4cc(Cl)ccc34)CC2)C1=O.
What is the InChIKey of 1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is LSMDWDOOOHZEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O/c1-15(2)26-12-11-25(21(26)27)10-9-24-7-5-16(6-8-24)19-14-23-20-13-17(22)3-4-18(19)20/h3-4,13-16,23H,5-12H2,1-2H3.
What are the key properties of 1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 388.94 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 11741028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).