N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine

C15H22N4O — CID 115607201

IUPACN-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine
SMILESCC(CN1CCOCC1)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H22N4O/c1-12(10-19-4-6-20-7-5-19)16-9-13-2-3-14-15(8-13)18-11-17-14/h2-3,8,11-12,16H,4-7,9-10H2,1H3,(H,17,18)
InChIKeyONEMLSYVPUTWEU-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.37
Rot. Bonds5

About N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine

N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine (PubChem CID 115607201) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine
PubChem CID115607201
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine
SMILESCC(CN1CCOCC1)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H22N4O/c1-12(10-19-4-6-20-7-5-19)16-9-13-2-3-14-15(8-13)18-11-17-14/h2-3,8,11-12,16H,4-7,9-10H2,1H3,(H,17,18)
InChIKeyONEMLSYVPUTWEU-UHFFFAOYSA-N
XLogP1.37
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 126446790
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 43675675
4-[3-(3H-benzimidazol-5-yl)propyl]morpholine
CID 170870089
1-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 62699740
1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051875
N-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenyl]acetamide
CID 43675757
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 112688776
N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 104851456
N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide
CID 131920003
5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317091
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 119111277

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine (CID 115607201) is N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine is CC(CN1CCOCC1)NCc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine?
The InChIKey is ONEMLSYVPUTWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(10-19-4-6-20-7-5-19)16-9-13-2-3-14-15(8-13)18-11-17-14/h2-3,8,11-12,16H,4-7,9-10H2,1H3,(H,17,18).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine?
N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine has a molecular weight of 274.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 115607201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).