[(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone

C23H23ClN6O2 — CID 146571686

IUPAC[(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(C(=O)N2C[C@H](C)OC[C@H]2c2nc3c(C)c(Cl)ccc3[nH]2)c(-n2nccn2)c1
InChIInChI=1S/C23H23ClN6O2/c1-13-4-5-16(19(10-13)30-25-8-9-26-30)23(31)29-11-14(2)32-12-20(29)22-27-18-7-6-17(24)15(3)21(18)28-22/h4-10,14,20H,11-12H2,1-3H3,(H,27,28)/t14-,20-/m0/s1
InChIKeyFACHXQFMVKYABE-XOBRGWDASA-N
MW450.93 g/mol
LogP4.02
Rot. Bonds3

About [(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone

[(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 146571686) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is [(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID146571686
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name[(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(C(=O)N2C[C@H](C)OC[C@H]2c2nc3c(C)c(Cl)ccc3[nH]2)c(-n2nccn2)c1
InChIInChI=1S/C23H23ClN6O2/c1-13-4-5-16(19(10-13)30-25-8-9-26-30)23(31)29-11-14(2)32-12-20(29)22-27-18-7-6-17(24)15(3)21(18)28-22/h4-10,14,20H,11-12H2,1-3H3,(H,27,28)/t14-,20-/m0/s1
InChIKeyFACHXQFMVKYABE-XOBRGWDASA-N
XLogP4.02
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 146571694
[(2S,4R)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-4-fluoropyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118127211
[(2S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-4-methylidenepyrrolidin-1-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
CID 118127611
[4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565520
[(2S)-2-(6-methylsulfanyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118127106
[(2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118116740
(2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134503257
[2-(4-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118128251
[2-(hydroxymethyl)-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118020544
[(2S,3R)-3-[(5-chloropyrimidin-2-yl)amino]-2-methylpiperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90404864
[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[4,5-dimethoxy-2-(triazol-2-yl)phenyl]methanone
CID 118127043
[2-(hydroxymethyl)-5-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118020540

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone (CID 146571686) is [(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(C(=O)N2C[C@H](C)OC[C@H]2c2nc3c(C)c(Cl)ccc3[nH]2)c(-n2nccn2)c1.
What is the InChIKey of [(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is FACHXQFMVKYABE-XOBRGWDASA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-13-4-5-16(19(10-13)30-25-8-9-26-30)23(31)29-11-14(2)32-12-20(29)22-27-18-7-6-17(24)15(3)21(18)28-22/h4-10,14,20H,11-12H2,1-3H3,(H,27,28)/t14-,20-/m0/s1.
What are the key properties of [(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
[(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 450.93 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 146571686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).