1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine

C16H17N3 — CID 43823548

IUPAC1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
SMILESCc1nc2ccccc2n1-c1ccccc1C(C)N
InChIInChI=1S/C16H17N3/c1-11(17)13-7-3-5-9-15(13)19-12(2)18-14-8-4-6-10-16(14)19/h3-11H,17H2,1-2H3
InChIKeyYPRFEBAXKZNURB-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.35
Rot. Bonds2

About 1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine

1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine (PubChem CID 43823548) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
PubChem CID43823548
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
SMILESCc1nc2ccccc2n1-c1ccccc1C(C)N
InChIInChI=1S/C16H17N3/c1-11(17)13-7-3-5-9-15(13)19-12(2)18-14-8-4-6-10-16(14)19/h3-11H,17H2,1-2H3
InChIKeyYPRFEBAXKZNURB-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine (CID 43823548) is 1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine is Cc1nc2ccccc2n1-c1ccccc1C(C)N.
What is the InChIKey of 1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine?
The InChIKey is YPRFEBAXKZNURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11(17)13-7-3-5-9-15(13)19-12(2)18-14-8-4-6-10-16(14)19/h3-11H,17H2,1-2H3.
What are the key properties of 1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine?
1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 43823548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).