N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine

C14H20N4O — CID 666288

IUPACN-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NCCCN3CCOCC3)nc2c1
InChIInChI=1S/C14H20N4O/c1-2-5-13-12(4-1)16-14(17-13)15-6-3-7-18-8-10-19-11-9-18/h1-2,4-5H,3,6-11H2,(H2,15,16,17)
InChIKeyPABPIVSFSIPKPT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.70
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine

N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine (PubChem CID 666288) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine
PubChem CID666288
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NCCCN3CCOCC3)nc2c1
InChIInChI=1S/C14H20N4O/c1-2-5-13-12(4-1)16-14(17-13)15-6-3-7-18-8-10-19-11-9-18/h1-2,4-5H,3,6-11H2,(H2,15,16,17)
InChIKeyPABPIVSFSIPKPT-UHFFFAOYSA-N
XLogP1.70
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine (CID 666288) is N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine is c1ccc2[nH]c(NCCCN3CCOCC3)nc2c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine?
The InChIKey is PABPIVSFSIPKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-5-13-12(4-1)16-14(17-13)15-6-3-7-18-8-10-19-11-9-18/h1-2,4-5H,3,6-11H2,(H2,15,16,17).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine?
N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 666288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).