N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine

C26H28N4O2 — CID 154704332

IUPACN-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine
SMILESc1ccc(CN2CCOC(COc3ccccc3CNc3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C26H28N4O2/c1-2-8-20(9-3-1)17-30-14-15-31-22(18-30)19-32-25-13-7-4-10-21(25)16-27-26-28-23-11-5-6-12-24(23)29-26/h1-13,22H,14-19H2,(H2,27,28,29)
InChIKeyNHKHTSPTQCEFRR-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.45
Rot. Bonds8

About N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine

N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine (PubChem CID 154704332) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine
PubChem CID154704332
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine
SMILESc1ccc(CN2CCOC(COc3ccccc3CNc3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C26H28N4O2/c1-2-8-20(9-3-1)17-30-14-15-31-22(18-30)19-32-25-13-7-4-10-21(25)16-27-26-28-23-11-5-6-12-24(23)29-26/h1-13,22H,14-19H2,(H2,27,28,29)
InChIKeyNHKHTSPTQCEFRR-UHFFFAOYSA-N
XLogP4.45
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine
CID 154108772
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793
(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 46041237
(2S)-2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 92984994
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
(2R)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70159870
[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166316
(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70161855
N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 79171206

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine (CID 154704332) is N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine is c1ccc(CN2CCOC(COc3ccccc3CNc3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is NHKHTSPTQCEFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-2-8-20(9-3-1)17-30-14-15-31-22(18-30)19-32-25-13-7-4-10-21(25)16-27-26-28-23-11-5-6-12-24(23)29-26/h1-13,22H,14-19H2,(H2,27,28,29).
What are the key properties of N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine?
N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 428.54 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-benzylmorpholin-2-yl)methoxy]phenyl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 154704332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).