(2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

C17H18FN5O2 — CID 167941814

IUPAC(2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1nc2cc(F)ccc2n1C
InChIInChI=1S/C17H18FN5O2/c1-22-7-6-19-15(22)14-11(5-8-25-14)16(24)21-17-20-12-9-10(18)3-4-13(12)23(17)2/h3-4,6-7,9,11,14H,5,8H2,1-2H3,(H,20,21,24)/t11-,14-/m1/s1
InChIKeyGEIMYAABWSAGKX-BXUZGUMPSA-N
MW343.36 g/mol
LogP2.16
Rot. Bonds3

About (2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

(2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (PubChem CID 167941814) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is (2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
PubChem CID167941814
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name(2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1nc2cc(F)ccc2n1C
InChIInChI=1S/C17H18FN5O2/c1-22-7-6-19-15(22)14-11(5-8-25-14)16(24)21-17-20-12-9-10(18)3-4-13(12)23(17)2/h3-4,6-7,9,11,14H,5,8H2,1-2H3,(H,20,21,24)/t11-,14-/m1/s1
InChIKeyGEIMYAABWSAGKX-BXUZGUMPSA-N
XLogP2.16
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (CID 167941814) is (2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1nc2cc(F)ccc2n1C.
What is the InChIKey of (2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The InChIKey is GEIMYAABWSAGKX-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-22-7-6-19-15(22)14-11(5-8-25-14)16(24)21-17-20-12-9-10(18)3-4-13(12)23(17)2/h3-4,6-7,9,11,14H,5,8H2,1-2H3,(H,20,21,24)/t11-,14-/m1/s1.
What are the key properties of (2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
(2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 167941814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).