1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

C27H30FN7O — CID 10917920

IUPAC1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1
InChIInChI=1S/C27H30FN7O/c1-32-18-30-26(31-32)20-2-7-25-23(16-20)24(17-35(25)22-5-3-21(28)4-6-22)19-8-11-33(12-9-19)14-15-34-13-10-29-27(34)36/h2-7,16-19H,8-15H2,1H3,(H,29,36)
InChIKeyCBFLLWSFCPBXDU-UHFFFAOYSA-N
MW487.58 g/mol
LogP3.77
Rot. Bonds6

About 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 10917920) has the molecular formula C27H30FN7O and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID10917920
Molecular FormulaC27H30FN7O
Molecular Weight487.58 g/mol
Exact Mass487.25
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1
InChIInChI=1S/C27H30FN7O/c1-32-18-30-26(31-32)20-2-7-25-23(16-20)24(17-35(25)22-5-3-21(28)4-6-22)19-8-11-33(12-9-19)14-15-34-13-10-29-27(34)36/h2-7,16-19H,8-15H2,1H3,(H,29,36)
InChIKeyCBFLLWSFCPBXDU-UHFFFAOYSA-N
XLogP3.77
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 10917920) is 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is CBFLLWSFCPBXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O/c1-32-18-30-26(31-32)20-2-7-25-23(16-20)24(17-35(25)22-5-3-21(28)4-6-22)19-8-11-33(12-9-19)14-15-34-13-10-29-27(34)36/h2-7,16-19H,8-15H2,1H3,(H,29,36).
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 487.58 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 10917920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).