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

C23H25N5O3S — CID 71694136

IUPAC(3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
SMILESCn1c(CN2CCOC[C@H]2c2ncc(-c3ccc(S(C)(=O)=O)cc3)[nH]2)nc2ccccc21
InChIInChI=1S/C23H25N5O3S/c1-27-20-6-4-3-5-18(20)25-22(27)14-28-11-12-31-15-21(28)23-24-13-19(26-23)16-7-9-17(10-8-16)32(2,29)30/h3-10,13,21H,11-12,14-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyMHJHTPRAHCABEY-NRFANRHFSA-N
MW451.55 g/mol
LogP2.94
Rot. Bonds5

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

(3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine (PubChem CID 71694136) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is (3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
PubChem CID71694136
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name(3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
SMILESCn1c(CN2CCOC[C@H]2c2ncc(-c3ccc(S(C)(=O)=O)cc3)[nH]2)nc2ccccc21
InChIInChI=1S/C23H25N5O3S/c1-27-20-6-4-3-5-18(20)25-22(27)14-28-11-12-31-15-21(28)23-24-13-19(26-23)16-7-9-17(10-8-16)32(2,29)30/h3-10,13,21H,11-12,14-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyMHJHTPRAHCABEY-NRFANRHFSA-N
XLogP2.94
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151146
(3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 71694253
4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151142
4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151147
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 78151281
(3S)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)morpholine
CID 124984162
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
CID 56775913
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 78151212
N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113781
4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
CID 56776019
2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
CID 78151252

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
The IUPAC name of (3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine (CID 71694136) is (3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for (3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
The canonical SMILES for (3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine is Cn1c(CN2CCOC[C@H]2c2ncc(-c3ccc(S(C)(=O)=O)cc3)[nH]2)nc2ccccc21.
What is the InChIKey of (3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
The InChIKey is MHJHTPRAHCABEY-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-27-20-6-4-3-5-18(20)25-22(27)14-28-11-12-31-15-21(28)23-24-13-19(26-23)16-7-9-17(10-8-16)32(2,29)30/h3-10,13,21H,11-12,14-15H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of (3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
(3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine has a molecular weight of 451.55 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 71694136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).