4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine

C18H19N3O — CID 103597251

IUPAC4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine
SMILESCc1cccc2[nH]c(-c3cccc(N4CCOCC4)c3)nc12
InChIInChI=1S/C18H19N3O/c1-13-4-2-7-16-17(13)20-18(19-16)14-5-3-6-15(12-14)21-8-10-22-11-9-21/h2-7,12H,8-11H2,1H3,(H,19,20)
InChIKeyLMFHBAZWKJWGDY-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.37
Rot. Bonds2

About 4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine

4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine (PubChem CID 103597251) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine
PubChem CID103597251
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine
SMILESCc1cccc2[nH]c(-c3cccc(N4CCOCC4)c3)nc12
InChIInChI=1S/C18H19N3O/c1-13-4-2-7-16-17(13)20-18(19-16)14-5-3-6-15(12-14)21-8-10-22-11-9-21/h2-7,12H,8-11H2,1H3,(H,19,20)
InChIKeyLMFHBAZWKJWGDY-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 141442695
N-[2-(3-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]pyridine-2-carboxamide
CID 58279364
4-[2-[4-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
CID 44526493
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
CID 71448629
1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 59568070
6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 168514664
2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole
CID 103597249
2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 165426258
4-(2,8-dimethylquinolin-4-yl)morpholine
CID 71424846
4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 103597254
4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 64723101

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine?
The IUPAC name of 4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine (CID 103597251) is 4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine.
What is the SMILES notation for 4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine?
The canonical SMILES for 4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine is Cc1cccc2[nH]c(-c3cccc(N4CCOCC4)c3)nc12.
What is the InChIKey of 4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine?
The InChIKey is LMFHBAZWKJWGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-4-2-7-16-17(13)20-18(19-16)14-5-3-6-15(12-14)21-8-10-22-11-9-21/h2-7,12H,8-11H2,1H3,(H,19,20).
What are the key properties of 4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine?
4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine has a molecular weight of 293.37 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine is sourced from PubChem (CID 103597251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).