N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine

C15H17N3O — CID 62447423

IUPACN-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(Cn2cnc3ccccc32)o1
InChIInChI=1S/C15H17N3O/c1-2-16-9-12-7-8-13(19-12)10-18-11-17-14-5-3-4-6-15(14)18/h3-8,11,16H,2,9-10H2,1H3
InChIKeyXNYCYNBYBVDISW-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.79
Rot. Bonds5

About N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine

N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine (PubChem CID 62447423) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine
PubChem CID62447423
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(Cn2cnc3ccccc32)o1
InChIInChI=1S/C15H17N3O/c1-2-16-9-12-7-8-13(19-12)10-18-11-17-14-5-3-4-6-15(14)18/h3-8,11,16H,2,9-10H2,1H3
InChIKeyXNYCYNBYBVDISW-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 55023371
5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole
CID 56688670
N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62447227
ethyl 5-(benzimidazol-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylate
CID 170838347
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-[(6-propyl-2-pyridinyl)methyl]benzimidazole
CID 166263430
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-butylurea
CID 48915751
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine
CID 62563672
1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728741

Frequently Asked Questions

What is the IUPAC name of N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine (CID 62447423) is N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(Cn2cnc3ccccc32)o1.
What is the InChIKey of N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is XNYCYNBYBVDISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-16-9-12-7-8-13(19-12)10-18-11-17-14-5-3-4-6-15(14)18/h3-8,11,16H,2,9-10H2,1H3.
What are the key properties of N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine?
N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62447423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).