N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine

C13H19N3 — CID 46785621

IUPACN-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2cc(C)c(C)cc2n1C
InChIInChI=1S/C13H19N3/c1-5-14-8-13-15-11-6-9(2)10(3)7-12(11)16(13)4/h6-7,14H,5,8H2,1-4H3
InChIKeyDRDLSRGOUKWMCA-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.30
Rot. Bonds3

About N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine

N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine (PubChem CID 46785621) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine
PubChem CID46785621
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2cc(C)c(C)cc2n1C
InChIInChI=1S/C13H19N3/c1-5-14-8-13-15-11-6-9(2)10(3)7-12(11)16(13)4/h6-7,14H,5,8H2,1-4H3
InChIKeyDRDLSRGOUKWMCA-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine (CID 46785621) is N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine is CCNCc1nc2cc(C)c(C)cc2n1C.
What is the InChIKey of N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine?
The InChIKey is DRDLSRGOUKWMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-14-8-13-15-11-6-9(2)10(3)7-12(11)16(13)4/h6-7,14H,5,8H2,1-4H3.
What are the key properties of N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine?
N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine has a molecular weight of 217.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 46785621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).