2-(1-phenylbenzimidazol-5-yl)oxyethanamine

C15H15N3O — CID 5328505

IUPAC2-(1-phenylbenzimidazol-5-yl)oxyethanamine
SMILESNCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C15H15N3O/c16-8-9-19-13-6-7-15-14(10-13)17-11-18(15)12-4-2-1-3-5-12/h1-7,10-11H,8-9,16H2
InChIKeyFRNOZBQRWVZMPL-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.36
Rot. Bonds4

About 2-(1-phenylbenzimidazol-5-yl)oxyethanamine

2-(1-phenylbenzimidazol-5-yl)oxyethanamine (PubChem CID 5328505) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(1-phenylbenzimidazol-5-yl)oxyethanamine.

Molecular Properties

Compound Name2-(1-phenylbenzimidazol-5-yl)oxyethanamine
PubChem CID5328505
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-(1-phenylbenzimidazol-5-yl)oxyethanamine
SMILESNCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C15H15N3O/c16-8-9-19-13-6-7-15-14(10-13)17-11-18(15)12-4-2-1-3-5-12/h1-7,10-11H,8-9,16H2
InChIKeyFRNOZBQRWVZMPL-UHFFFAOYSA-N
XLogP2.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbenzimidazol-5-yl)oxyethanamine?
The IUPAC name of 2-(1-phenylbenzimidazol-5-yl)oxyethanamine (CID 5328505) is 2-(1-phenylbenzimidazol-5-yl)oxyethanamine.
What is the SMILES notation for 2-(1-phenylbenzimidazol-5-yl)oxyethanamine?
The canonical SMILES for 2-(1-phenylbenzimidazol-5-yl)oxyethanamine is NCCOc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 2-(1-phenylbenzimidazol-5-yl)oxyethanamine?
The InChIKey is FRNOZBQRWVZMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-8-9-19-13-6-7-15-14(10-13)17-11-18(15)12-4-2-1-3-5-12/h1-7,10-11H,8-9,16H2.
What are the key properties of 2-(1-phenylbenzimidazol-5-yl)oxyethanamine?
2-(1-phenylbenzimidazol-5-yl)oxyethanamine has a molecular weight of 253.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbenzimidazol-5-yl)oxyethanamine is sourced from PubChem (CID 5328505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).