4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine

C19H23ClN4O — CID 92628524

IUPAC4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine
SMILESCC[C@H](CN1CCOCC1)n1cncc1-c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C19H23ClN4O/c1-2-14(12-23-7-9-25-10-8-23)24-13-21-11-17(24)19-18(20)15-5-3-4-6-16(15)22-19/h3-6,11,13-14,22H,2,7-10,12H2,1H3/t14-/m1/s1
InChIKeyUFPICQXCNPHJLA-CQSZACIVSA-N
MW358.87 g/mol
LogP3.97
Rot. Bonds5

About 4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine

4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine (PubChem CID 92628524) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine.

Molecular Properties

Compound Name4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine
PubChem CID92628524
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine
SMILESCC[C@H](CN1CCOCC1)n1cncc1-c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C19H23ClN4O/c1-2-14(12-23-7-9-25-10-8-23)24-13-21-11-17(24)19-18(20)15-5-3-4-6-16(15)22-19/h3-6,11,13-14,22H,2,7-10,12H2,1H3/t14-/m1/s1
InChIKeyUFPICQXCNPHJLA-CQSZACIVSA-N
XLogP3.97
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine?
The IUPAC name of 4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine (CID 92628524) is 4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine.
What is the SMILES notation for 4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine?
The canonical SMILES for 4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine is CC[C@H](CN1CCOCC1)n1cncc1-c1[nH]c2ccccc2c1Cl.
What is the InChIKey of 4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine?
The InChIKey is UFPICQXCNPHJLA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-2-14(12-23-7-9-25-10-8-23)24-13-21-11-17(24)19-18(20)15-5-3-4-6-16(15)22-19/h3-6,11,13-14,22H,2,7-10,12H2,1H3/t14-/m1/s1.
What are the key properties of 4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine?
4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine has a molecular weight of 358.87 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine is sourced from PubChem (CID 92628524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).