2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine

C14H15N3O — CID 55023371

IUPAC2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESc1coc(CNCCn2cnc3ccccc32)c1
InChIInChI=1S/C14H15N3O/c1-2-6-14-13(5-1)16-11-17(14)8-7-15-10-12-4-3-9-18-12/h1-6,9,11,15H,7-8,10H2
InChIKeyJWZHBEJKSZFOCW-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.42
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine

2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 55023371) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID55023371
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESc1coc(CNCCn2cnc3ccccc32)c1
InChIInChI=1S/C14H15N3O/c1-2-6-14-13(5-1)16-11-17(14)8-7-15-10-12-4-3-9-18-12/h1-6,9,11,15H,7-8,10H2
InChIKeyJWZHBEJKSZFOCW-UHFFFAOYSA-N
XLogP2.42
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 83961971
5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62567120
N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine
CID 62563672
N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine
CID 62562532
3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 55109662
3-[2-(furan-2-ylmethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 62564089
3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685535
N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62447423
1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 23992237
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine
CID 28781418
3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 48962748

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine (CID 55023371) is 2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine is c1coc(CNCCn2cnc3ccccc32)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is JWZHBEJKSZFOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-6-14-13(5-1)16-11-17(14)8-7-15-10-12-4-3-9-18-12/h1-6,9,11,15H,7-8,10H2.
What are the key properties of 2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine?
2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 241.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 55023371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).