1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine

C13H19N3 — CID 82493448

IUPAC1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
SMILESCCn1c(C)nc2cc(C(C)NC)ccc21
InChIInChI=1S/C13H19N3/c1-5-16-10(3)15-12-8-11(9(2)14-4)6-7-13(12)16/h6-9,14H,5H2,1-4H3
InChIKeyFACPRAZIBCXLMB-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.65
Rot. Bonds3

About 1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine

1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine (PubChem CID 82493448) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
PubChem CID82493448
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
SMILESCCn1c(C)nc2cc(C(C)NC)ccc21
InChIInChI=1S/C13H19N3/c1-5-16-10(3)15-12-8-11(9(2)14-4)6-7-13(12)16/h6-9,14H,5H2,1-4H3
InChIKeyFACPRAZIBCXLMB-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine (CID 82493448) is 1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine is CCn1c(C)nc2cc(C(C)NC)ccc21.
What is the InChIKey of 1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine?
The InChIKey is FACPRAZIBCXLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-16-10(3)15-12-8-11(9(2)14-4)6-7-13(12)16/h6-9,14H,5H2,1-4H3.
What are the key properties of 1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine?
1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine has a molecular weight of 217.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 82493448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).