5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol

C19H22N4O2 — CID 16638392

IUPAC5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol
SMILESNCc1ccc(-c2nc3ccccc3n2OCC2CC(O)CN2)cc1
InChIInChI=1S/C19H22N4O2/c20-10-13-5-7-14(8-6-13)19-22-17-3-1-2-4-18(17)23(19)25-12-15-9-16(24)11-21-15/h1-8,15-16,21,24H,9-12,20H2
InChIKeyRAYSEWOMSFPQIQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.31
Rot. Bonds5

About 5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol

5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol (PubChem CID 16638392) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol
PubChem CID16638392
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol
SMILESNCc1ccc(-c2nc3ccccc3n2OCC2CC(O)CN2)cc1
InChIInChI=1S/C19H22N4O2/c20-10-13-5-7-14(8-6-13)19-22-17-3-1-2-4-18(17)23(19)25-12-15-9-16(24)11-21-15/h1-8,15-16,21,24H,9-12,20H2
InChIKeyRAYSEWOMSFPQIQ-UHFFFAOYSA-N
XLogP1.31
TPSA85.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol?
The IUPAC name of 5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol (CID 16638392) is 5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol is NCc1ccc(-c2nc3ccccc3n2OCC2CC(O)CN2)cc1.
What is the InChIKey of 5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol?
The InChIKey is RAYSEWOMSFPQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-10-13-5-7-14(8-6-13)19-22-17-3-1-2-4-18(17)23(19)25-12-15-9-16(24)11-21-15/h1-8,15-16,21,24H,9-12,20H2.
What are the key properties of 5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol?
5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol has a molecular weight of 338.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol is sourced from PubChem (CID 16638392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).