(3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide

C19H19N3O2 — CID 95617946

IUPAC(3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
SMILESO=C(Nc1cccc(Cn2cnc3ccccc32)c1)[C@@H]1CCOC1
InChIInChI=1S/C19H19N3O2/c23-19(15-8-9-24-12-15)21-16-5-3-4-14(10-16)11-22-13-20-17-6-1-2-7-18(17)22/h1-7,10,13,15H,8-9,11-12H2,(H,21,23)/t15-/m1/s1
InChIKeyOEARHIHRIBMTAA-OAHLLOKOSA-N
MW321.38 g/mol
LogP3.06
Rot. Bonds4

About (3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide

(3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide (PubChem CID 95617946) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
PubChem CID95617946
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
SMILESO=C(Nc1cccc(Cn2cnc3ccccc32)c1)[C@@H]1CCOC1
InChIInChI=1S/C19H19N3O2/c23-19(15-8-9-24-12-15)21-16-5-3-4-14(10-16)11-22-13-20-17-6-1-2-7-18(17)22/h1-7,10,13,15H,8-9,11-12H2,(H,21,23)/t15-/m1/s1
InChIKeyOEARHIHRIBMTAA-OAHLLOKOSA-N
XLogP3.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide (CID 95617946) is (3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide is O=C(Nc1cccc(Cn2cnc3ccccc32)c1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is OEARHIHRIBMTAA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(15-8-9-24-12-15)21-16-5-3-4-14(10-16)11-22-13-20-17-6-1-2-7-18(17)22/h1-7,10,13,15H,8-9,11-12H2,(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide?
(3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 95617946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).