4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine

C18H19N3O — CID 133410916

IUPAC4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine
SMILESCC1(c2ccccc2)CN(c2nc3ccccc3[nH]2)CCO1
InChIInChI=1S/C18H19N3O/c1-18(14-7-3-2-4-8-14)13-21(11-12-22-18)17-19-15-9-5-6-10-16(15)20-17/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyBZUKPNXTFZUPHF-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.31
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine

4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine (PubChem CID 133410916) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine
PubChem CID133410916
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine
SMILESCC1(c2ccccc2)CN(c2nc3ccccc3[nH]2)CCO1
InChIInChI=1S/C18H19N3O/c1-18(14-7-3-2-4-8-14)13-21(11-12-22-18)17-19-15-9-5-6-10-16(15)20-17/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyBZUKPNXTFZUPHF-UHFFFAOYSA-N
XLogP3.31
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole
CID 75435540
1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol
CID 113343734
[1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol
CID 133411172
4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine
CID 133379561
2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
CID 133481137
4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile
CID 133379557
4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine
CID 133379497
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-2-carbonitrile
CID 133379490
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133379583
2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile
CID 166196558
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine (CID 133410916) is 4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine is CC1(c2ccccc2)CN(c2nc3ccccc3[nH]2)CCO1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine?
The InChIKey is BZUKPNXTFZUPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(14-7-3-2-4-8-14)13-21(11-12-22-18)17-19-15-9-5-6-10-16(15)20-17/h2-10H,11-13H2,1H3,(H,19,20).
What are the key properties of 4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine?
4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine has a molecular weight of 293.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine is sourced from PubChem (CID 133410916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).