N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine

C16H19N3O — CID 106887581

IUPACN-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1Cc1nc2ccccc2n1C
InChIInChI=1S/C16H19N3O/c1-3-17-11-15-12(8-9-20-15)10-16-18-13-6-4-5-7-14(13)19(16)2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyRKRCKJCAMACRAJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.87
Rot. Bonds5

About N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine

N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 106887581) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine
PubChem CID106887581
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1Cc1nc2ccccc2n1C
InChIInChI=1S/C16H19N3O/c1-3-17-11-15-12(8-9-20-15)10-16-18-13-6-4-5-7-14(13)19(16)2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyRKRCKJCAMACRAJ-UHFFFAOYSA-N
XLogP2.87
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine (CID 106887581) is N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine is CCNCc1occc1Cc1nc2ccccc2n1C.
What is the InChIKey of N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is RKRCKJCAMACRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-17-11-15-12(8-9-20-15)10-16-18-13-6-4-5-7-14(13)19(16)2/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine?
N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106887581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).