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

C15H17N3O — CID 83961971

IUPACN-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCn1c(CCNCc2ccco2)nc2ccccc21
InChIInChI=1S/C15H17N3O/c1-18-14-7-3-2-6-13(14)17-15(18)8-9-16-11-12-5-4-10-19-12/h2-7,10,16H,8-9,11H2,1H3
InChIKeyXOOURPOHFQHJKT-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.50
Rot. Bonds5

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

N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 83961971) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID83961971
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCn1c(CCNCc2ccco2)nc2ccccc21
InChIInChI=1S/C15H17N3O/c1-18-14-7-3-2-6-13(14)17-15(18)8-9-16-11-12-5-4-10-19-12/h2-7,10,16H,8-9,11H2,1H3
InChIKeyXOOURPOHFQHJKT-UHFFFAOYSA-N
XLogP2.50
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.50
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

2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 83961969
1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine
CID 83961987
2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 55023371
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 95567515
N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 46971377
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 55228241
N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83962035
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036
3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 83962034
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine (CID 83961971) is N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine is Cn1c(CCNCc2ccco2)nc2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is XOOURPOHFQHJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18-14-7-3-2-6-13(14)17-15(18)8-9-16-11-12-5-4-10-19-12/h2-7,10,16H,8-9,11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 83961971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).