(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine

C24H26N4O2 — CID 56776035

IUPAC(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine
SMILESCOc1ccc(-c2cnc([C@@H]3COCCN3Cc3cn(C)c4ccccc34)[nH]2)cc1
InChIInChI=1S/C24H26N4O2/c1-27-14-18(20-5-3-4-6-22(20)27)15-28-11-12-30-16-23(28)24-25-13-21(26-24)17-7-9-19(29-2)10-8-17/h3-10,13-14,23H,11-12,15-16H2,1-2H3,(H,25,26)/t23-/m0/s1
InChIKeyNPYSLPZFHKSLHH-QHCPKHFHSA-N
MW402.50 g/mol
LogP4.15
Rot. Bonds5

About (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine

(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine (PubChem CID 56776035) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine
PubChem CID56776035
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine
SMILESCOc1ccc(-c2cnc([C@@H]3COCCN3Cc3cn(C)c4ccccc34)[nH]2)cc1
InChIInChI=1S/C24H26N4O2/c1-27-14-18(20-5-3-4-6-22(20)27)15-28-11-12-30-16-23(28)24-25-13-21(26-24)17-7-9-19(29-2)10-8-17/h3-10,13-14,23H,11-12,15-16H2,1-2H3,(H,25,26)/t23-/m0/s1
InChIKeyNPYSLPZFHKSLHH-QHCPKHFHSA-N
XLogP4.15
TPSA55.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine?
The IUPAC name of (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine (CID 56776035) is (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine.
What is the SMILES notation for (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine?
The canonical SMILES for (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine is COc1ccc(-c2cnc([C@@H]3COCCN3Cc3cn(C)c4ccccc34)[nH]2)cc1.
What is the InChIKey of (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine?
The InChIKey is NPYSLPZFHKSLHH-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-27-14-18(20-5-3-4-6-22(20)27)15-28-11-12-30-16-23(28)24-25-13-21(26-24)17-7-9-19(29-2)10-8-17/h3-10,13-14,23H,11-12,15-16H2,1-2H3,(H,25,26)/t23-/m0/s1.
What are the key properties of (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine?
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine has a molecular weight of 402.50 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylindol-3-yl)methyl]morpholine is sourced from PubChem (CID 56776035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).