formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine

C19H30N4O6 — CID 154909557

IUPACformic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
SMILESCOc1ccc2nc(CCNC(C)CN3CCOCC3)[nH]c2c1.O=CO.O=CO
InChIInChI=1S/C17H26N4O2.2CH2O2/c1-13(12-21-7-9-23-10-8-21)18-6-5-17-19-15-4-3-14(22-2)11-16(15)20-17;2*2-1-3/h3-4,11,13,18H,5-10,12H2,1-2H3,(H,19,20);2*1H,(H,2,3)
InChIKeyJKLCEAUPLJCVPP-UHFFFAOYSA-N
MW410.47 g/mol
LogP0.83
Rot. Bonds7

About formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine

formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine (PubChem CID 154909557) has the molecular formula C19H30N4O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound Nameformic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
PubChem CID154909557
Molecular FormulaC19H30N4O6
Molecular Weight410.47 g/mol
Exact Mass410.22
IUPAC Nameformic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
SMILESCOc1ccc2nc(CCNC(C)CN3CCOCC3)[nH]c2c1.O=CO.O=CO
InChIInChI=1S/C17H26N4O2.2CH2O2/c1-13(12-21-7-9-23-10-8-21)18-6-5-17-19-15-4-3-14(22-2)11-16(15)20-17;2*2-1-3/h3-4,11,13,18H,5-10,12H2,1-2H3,(H,19,20);2*1H,(H,2,3)
InChIKeyJKLCEAUPLJCVPP-UHFFFAOYSA-N
XLogP0.83
TPSA137.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine with MolForge

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Related Compounds

(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 125179788
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide
CID 119069776
4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol
CID 43675654
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine
CID 82336375
1-(4-methoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-2-amine
CID 43675935
formic acid;4,4,4-trifluoro-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]butan-2-amine
CID 154908586
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
2-[(3R,4S)-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-(oxan-4-yl)piperidin-4-yl]acetic acid
CID 125417766

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine (CID 154909557) is formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine is COc1ccc2nc(CCNC(C)CN3CCOCC3)[nH]c2c1.O=CO.O=CO.
What is the InChIKey of formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine?
The InChIKey is JKLCEAUPLJCVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.2CH2O2/c1-13(12-21-7-9-23-10-8-21)18-6-5-17-19-15-4-3-14(22-2)11-16(15)20-17;2*2-1-3/h3-4,11,13,18H,5-10,12H2,1-2H3,(H,19,20);2*1H,(H,2,3).
What are the key properties of formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine?
formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine has a molecular weight of 410.47 g/mol, XLogP of 0.83, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 154909557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).