(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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Related Compounds

(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
(2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 167843656
(2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide
CID 136587113
(2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128986472
1-[(4-fluorophenyl)methyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 128977421
(2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128989629
(2R,3R)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128970673
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119816279
(2R,3R)-N-[(6-methoxy-3-pyridinyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 154796427
3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128969379
(2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide
CID 167747051
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide
CID 119342267

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).