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

C22H21ClN4O — CID 71694104

IUPAC(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine
SMILESClc1ccc(-c2cnc([C@@H]3COCCN3Cc3c[nH]c4ccccc34)[nH]2)cc1
InChIInChI=1S/C22H21ClN4O/c23-17-7-5-15(6-8-17)20-12-25-22(26-20)21-14-28-10-9-27(21)13-16-11-24-19-4-2-1-3-18(16)19/h1-8,11-12,21,24H,9-10,13-14H2,(H,25,26)/t21-/m0/s1
InChIKeyBBBHQNNAINLYHN-NRFANRHFSA-N
MW392.89 g/mol
LogP4.78
Rot. Bonds4

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

(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine (PubChem CID 71694104) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine.

Molecular Properties

Compound Name(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine
PubChem CID71694104
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine
SMILESClc1ccc(-c2cnc([C@@H]3COCCN3Cc3c[nH]c4ccccc34)[nH]2)cc1
InChIInChI=1S/C22H21ClN4O/c23-17-7-5-15(6-8-17)20-12-25-22(26-20)21-14-28-10-9-27(21)13-16-11-24-19-4-2-1-3-18(16)19/h1-8,11-12,21,24H,9-10,13-14H2,(H,25,26)/t21-/m0/s1
InChIKeyBBBHQNNAINLYHN-NRFANRHFSA-N
XLogP4.78
TPSA56.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine?
The IUPAC name of (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine (CID 71694104) is (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine.
What is the SMILES notation for (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine?
The canonical SMILES for (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine is Clc1ccc(-c2cnc([C@@H]3COCCN3Cc3c[nH]c4ccccc34)[nH]2)cc1.
What is the InChIKey of (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine?
The InChIKey is BBBHQNNAINLYHN-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-17-7-5-15(6-8-17)20-12-25-22(26-20)21-14-28-10-9-27(21)13-16-11-24-19-4-2-1-3-18(16)19/h1-8,11-12,21,24H,9-10,13-14H2,(H,25,26)/t21-/m0/s1.
What are the key properties of (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine?
(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine has a molecular weight of 392.89 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine is sourced from PubChem (CID 71694104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).